BioLiP

PDB

BioLiP

PDB CCD ID:

GK4

Number of entries in BioLiP:

Chemical formula:

C21 H21 N3 O2

InChI:

InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)

InChIKey:

FOHZGCHKLPIBBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C
ACDLabs 10.04	O=C(NCC1CC1)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4

Name:

N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide

ChEMBL:

CHEMBL273158

DrugBank:

DB07834

ZINC:

ZINC000016052768

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).