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BioLiP

PDB CCD ID: 87V
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(cc([nH]1)c2ccccc2)C(=O)N
CACTVS 3.385Cc1[nH]c(cc1C(N)=O)c2ccccc2
ACDLabs 12.01c1c(cccc1)c2cc(C(=O)N)c(C)n2
Name:2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
ChEMBL: CHEMBL4068905
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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