BioLiP

PDB

BioLiP

PDB CCD ID:

G6A

Number of entries in BioLiP:

Chemical formula:

C21 H21 N3 O2

InChI:

InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)

InChIKey:

UBVTVSINEVHYSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NC1CC1)c2cc(c(cc2)C)c4c(cc(c3nnc(o3)C)cc4)C
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4
CACTVS 3.341	Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4

Name:

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide

ChEMBL:

CHEMBL522579

DrugBank:

DB07811

ZINC:

ZINC000033969098

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).