BioLiP

PDB

BioLiP

PDB CCD ID:

87V

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O

InChI:

InChI=1S/C12H12N2O/c1-8-10(12(13)15)7-11(14-8)9-5-3-2-4-6-9/h2-7,14H,1H3,(H2,13,15)

InChIKey:

CJXRIVBNRCQKLJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1c(cc([nH]1)c2ccccc2)C(=O)N
CACTVS 3.385	Cc1[nH]c(cc1C(N)=O)c2ccccc2
ACDLabs 12.01	c1c(cccc1)c2cc(C(=O)N)c(C)n2

Name:

2-methyl-5-phenyl-1H-pyrrole-3-carboxamide

ChEMBL:

CHEMBL4068905

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).