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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Rattus norvegicus (Rat)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	clozapine
Molecular formula	C18H19ClN4
IUPAC name	3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular weight	326.828
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.1
Synonyms	SCHEMBL33323 KBio3_002979 Spectrum4_000898 L013417 TC-063560 LX 100-129 W-2845 NCGC00015254-01 NCGC00015254-09 NCGC00015254-17 NCGC00022902-08 NINDS_000343 QZUDBNBUXVUHMW-UHFFFAOYSA-N KBio2_000310 CHEBI:92657 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepine Clozapine [USAN:USP:INN:BAN] 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene Clozapinum 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine D00283 8-Chloro-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine DSSTox_RID_76759 AC1Q3OPZ Froidir (TN) Azaleptin HF1854 Bio1_000925 HMS2096E21 C-36335 HMS3713E21 KBio2_003167 SPBio_000798 KBioSS_000310 SR-01000000096-2 Lepotex Tox21_110113_1 MLS000028472 Zaponex (TN) NCGC00015254-04 NCGC00015254-12 NCGC00022902-02 NCGC00022902-11 Opera_ID_482 SAM002548976 HY-14539 Clopine (TN) Clozapine 1.0 mg/ml in Acetonitrile Clozapine, British Pharmacopoeia (BP) Reference Standard 8-Chloro-11-(4-methyl)-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine Clozaril (TN) 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) DB00363 AB00052158_15 EN300-52510 AKOS026749900 GP7633 BCP25196 HMS1791P12 Bio2_000790 HMS3260H14 CAS-5786-21-0 SC-12183 KBio3_000619 Spectrum2_000919 KS-1166 SR-01000000096-8 LP00276 Versacloz MolPort-006-167-528 NCGC00015254-07 NCGC00015254-15 NCGC00022902-06 NCGC00188978-01 Prestwick1_000350 J60AR2IKIC Clozapina 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, solid 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]-diazepine CTK6I2968 8-chloro-11-(4-methylpiperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine DSSTox_CID_2855 AB1009321 Fazaclo (TN) AOB5635 HF 1854 BG0154 HMS2089L13 BRN 0764984 HMS3402P12 CCRIS 9171 SCHEMBL8397 KBioGR_000310 Spectrum_000139 Leponex Tocris-0444 MCULE-3665900006 W-801 NCGC00015254-02 NCGC00015254-10 NCGC00015254-18 NCGC00022902-09 NSC-757429 REGID_for_CID_2818 KBio2_000599 Clozapine (Clozaril) 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester clozapine(tautomer) 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1,3(8),4,6,10,12,14-heptaene Clozapinum [INN-Latin] 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine D0Z1RV AB00052158-13 DTXSID5022855 AC1Q3ZWP FT-0082373 Azaleptine HMS1361P12 Bio1_001414 HMS2235E19 C06924 HMS501B05 KBio2_005446 SPBio_002340 KBioSS_000599 SR-01000000096-4 LEX-123 Tox21_500276 MLS001077282 ZINC19796155 NCGC00015254-05 NCGC00015254-13 NCGC00022902-04 NCGC00022902-12 Pharmakon1600-01500685 SAM002589962 I06-0047 Clorazil (E)-8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine for peak identification, European Pharmacopoeia (EP) Reference Standard 5786-21-0 Clozapine, drug standard, 1.0 mg/mL in methanol 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo (b,e)(1,4)diazepine CPD000058365 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) Denzapine (TN) AB00052158_16 EU-0100276 AN-16004 GTPL38 BDBM22869 HMS1921C16 BRD-K37289225-001-09-1 HMS3266A10 CC0176 SC-26976 KBio3_000620 Spectrum3_001828 L000195 SW220247-1 LS-60881 W-105432 NC00667 NCGC00015254-08 NCGC00015254-16 NCGC00022902-07 NCGC00260961-01 Prestwick_693 KBio1_000343 CHEBI:3766 Clozapina [INN-Spanish] 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine Clozapine [USAN:INN:BAN] 6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.0(3),]pentadeca-1,3,5,7,10,12,14-heptaene Clozapine, United States Pharmacopeia (USP) Reference Standard 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepine D-107 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine DSSTox_GSID_22855 AC1L1EJE Fazaclo ODT Asaleptin HF-1854 Bio1_000436 HMS2092I16 C 6305 HMS3657E15 KBio2_002878 SMR000058365 KBioGR_001336 SR-01000000096 Leponex (TN) Tox21_110113 MFCD00153785 Z1245633277 NCGC00015254-03 NCGC00015254-11 NCGC00015254-20 NCGC00022902-10 NSC757429 s2459 CHEMBL42 Clozapine (JAN/USP/INN) CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE 786C210 CLOZARIL 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) AB00052158-14 EINECS 227-313-7 AKOS005064444 FT-0600382 BC204168 HMS1569E21 Bio2_000310 HMS3259J17 C18H19ClN4 HSDB 6478 KBio2_005735 SPECTRUM1500685 Klozapol (TN) SR-01000000096-5 Lopac-C-6305 UNII-J60AR2IKIC MolPort-001-728-041 ZINC3872123 NCGC00015254-06 NCGC00015254-14 NCGC00022902-05 NCGC00022902-13 Prestwick0_000350 SBI-0050264.P004 Iprox Clozapin 1333667-72-3 Clozapine Resolution Mixture, United States Pharmacopeia (USP) Reference Standard 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)- Clozapine, European Pharmacopoeia (EP) Reference Standard 8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine CS-0644 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) DivK1c_000343 AB0013069 Fazaclo ANW-42470 H482 BDBM50001884 HMS1989P12 BRD-K37289225-001-23-2 HMS3371H05 CCG-39881 [ Show all ]
Inchi Key	QZUDBNBUXVUHMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
PubChem CID	135398737
ChEMBL	CHEMBL42
IUPHAR	38
BindingDB	50001884
DrugBank	DB00363
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity ratio	5.5 -	PMID8568801	ChEMBL
IC50	7.8 nM	PMID9406603, PMID7473566	BindingDB,ChEMBL
IC50	12.0 nM	PMID10377229	BindingDB,ChEMBL
IC50	13.0 nM	PMID9876110	BindingDB,ChEMBL
IC50	40.7 nM	PMID12361392	BindingDB,ChEMBL
IC50	72.0 nM	PMID7914536	ChEMBL
IC50	72.0 nM	PMID7914536	BindingDB
Kd	0.6918 nM	PMID11754579	ChEMBL
Kd	0.692 nM	PMID11754579	BindingDB
Kd	2.399 nM	PMID9934473	ChEMBL
Ki	1.25893 nM	PMID9655845	IUPHAR
Ki	1.585 nM	PMID10821703	ChEMBL
Ki	5.0 nM	N/A	BindingDB
Ki	5.012 nM	Bioorg. Med. Chem. Lett., (1997) 7:7:913, PMID10425088	ChEMBL
Ki	6.05 nM	PMID18603331	BindingDB,ChEMBL
Ki	6.7 nM	PMID12408724	BindingDB,ChEMBL
Ki	7.586 nM	PMID9934473, PMID11754579	ChEMBL
Ki	7.6 nM	PMID9934473	BindingDB
Ki	8.0 nM	PMID7861418, PMID8064797	BindingDB,ChEMBL
Ki	8.9 nM	PMID21816515	BindingDB,ChEMBL
Ki	9.0 nM	PMID10715164	BindingDB,ChEMBL
Ki	9.4 nM	PMID9876110	BindingDB,ChEMBL
Ki	10.0 nM	PMID15771414, PMID11784139, PMID19072656, PMID20481570, PMID14695828	BindingDB,ChEMBL
Ki	11.6 nM	PMID23675993	ChEMBL
Ki	12.9 nM	PMID24487191, MedChemComm, (2015) 6:5:831	ChEMBL
Ki	13.18 nM	PMID17870534	ChEMBL
Ki	14.0 nM	PMID20153652	BindingDB,ChEMBL
Ki	14.5 nM	PMID26483200	ChEMBL
Ki	15.0 nM	PMID26483200	BindingDB
Ki	15.14 nM	PMID8568801	ChEMBL
Ki	17.0 nM	PMID8709107	BindingDB,ChEMBL
Ki	20.0 nM	PMID23353740	BindingDB,ChEMBL
Ki	21.0 nM	PMID23792350	ChEMBL
Ki	27.54 nM	PMID11101359	ChEMBL

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