Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	UNII-UGT5535REQ
Molecular formula	C17H18ClNO
IUPAC name	(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight	287.787
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	Biomol-NT_000016 CHEMBL62 PDSP1_000615 SCH 23390,R(+) 1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-chloro-3-methyl-5-phenyl-, (R)- 8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol(SCH 23390) BRD-K45435259-003-03-8 Lopac0_000456 PDSP2_001507 SCHEMBL2916216 AC1MI1XB CHEBI:92798 NCGC00024877-03 SCH 23390 (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol BPBio1_001173 CTK3F0072 PDSP1_001523 SCH-23390 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (R)- CAS_87134-87-0 NCGC00024877-01 r-(+)-7-chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine Tocris-0925 BDBM82247 NCGC00024877-04 SCH 23390 (R-enantiomer) ZINC2017838 (R)-2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol BRD-K45435259-001-01-6 GOTMKOSCLKVOGG-OAHLLOKOSA-N PDSP2_000612 SCH23390 2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)- 87075-17-0 CCG-204548 NCGC00024877-02 Sch 23388 UGT5535REQ [ Show all ]
Inchi Key	GOTMKOSCLKVOGG-OAHLLOKOSA-N
Inchi ID	InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
PubChem CID	3036864
ChEMBL	CHEMBL62
IUPHAR	N/A
BindingDB	82247
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
101536	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
101538	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
101539	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
101535	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
101540	5-hydroxytryptamine receptor 2B	P30994	Htr2b	Rattus norvegicus (Rat)	479
101522	5-hydroxytryptamine receptor 2C	P08909	Htr2c	Rattus norvegicus (Rat)	460
101534	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
101526	5-hydroxytryptamine receptor 6	Q9R1C8	Htr6	Mus musculus (Mouse)	440
445695	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
101525	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
445694	D(1) dopamine receptor	P35406		Carassius auratus (Goldfish)	363
101519	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
101520	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
101528	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
101531	D(1A) dopamine receptor	Q61616	Drd1	Mus musculus (Mouse)	446
101537	D(1A) dopamine receptor	P50130	DRD1	Sus scrofa (Pig)	446
101521	D(1B) dopamine receptor	P25115	Drd5	Rattus norvegicus (Rat)	475
101530	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
101523	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
101527	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

zhanglab

zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417