BioLiP

PDB

BioLiP

PDB CCD ID:

WG3

Number of entries in BioLiP:

Chemical formula:

C18 H17 N3 O4

InChI:

InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24)

InChIKey:

TZPBRECIFDSTLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2nc(no2)C3CC3)NC(=O)C4=C(CCC4)C(=O)O
ACDLabs 12.01	O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1
CACTVS 3.385	OC(=O)C1=C(CCC1)C(=O)Nc2ccccc2c3onc(n3)C4CC4

Name:

2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

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).