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Ligand

Name	BCTC
Molecular formula	C20H25ClN4O
IUPAC name	N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Molecular weight	372.897
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BN0674 GTPL2460 N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide. AKOS024457842 B7520 CTK8F0011 MCULE-6176078265 SCHEMBL1269620 393514-24-4 BCTC, >=98% (HPLC) DTXSID90432997 n-(4-t-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide 4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide CHEMBL441472 HY-19960 NCGC00370959-01 AZ0001-0587 BCP19629 D0P7VQ MFCD08690556 TRA0012037 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide BDBM50133817 FT-0696667 N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide CS-5476 KS-00001DIH RT-011429 B-110 DA-42544 MolPort-003-983-482 ZINC27109670 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide, BCTC [ Show all ]
Inchi Key	ROGUAPYLUCHQGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PubChem CID	9929425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50133817
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

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GLASS ID	Name	UniProt	Gene	Species	Length
301161	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
301171	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
556664	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396
461793	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
301154	Cysteinyl leukotriene receptor 1	Q924T8	Cysltr1	Rattus norvegicus (Rat)	339
556662	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
301156	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
301159	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426
556661	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991
301169	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452
301164	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486
301172	Histamine H2 receptor	P25102	Hrh2	Rattus norvegicus (Rat)	358
301157	Leukotriene B4 receptor 1	Q9R0Q2	Ltb4r	Rattus norvegicus (Rat)	351
301167	Melatonin receptor type 1A	P49218	Mtnr1a	Rattus norvegicus (Rat)	156
301168	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
301170	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
301165	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
461794	Neuromedin-K receptor	P47937	Tacr3	Mus musculus (Mouse)	452
301155	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
301163	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

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