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BioLiP

PDB CCD ID: V1T
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3 O2
InChI: InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)
InChIKey: BRBLVCVSNVSPMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccc2c(c1)N(C(=O)N2C)C)N
CACTVS 3.385CN1C(=O)N(C)c2cc(ccc12)C(N)=O
OpenEye OEToolkits 1.7.6CN1c2ccc(cc2N(C1=O)C)C(=O)N
Name:1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
ChEMBL: CHEMBL1487662
ZINC: ZINC000000812404
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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