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BioLiP Library

PDB CCD ID: 4BX
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey: XYWJNTOURDMTPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(O)CCc2nc1ccccc1n2
CACTVS 3.352OC(=O)CCc1[nH]c2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)[nH]c(n2)CCC(=O)O
Name:3-(1H-benzimidazol-2-yl)propanoic acid
ChEMBL: CHEMBL596009
ZINC: ZINC000000051581
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)(download the PDF file).
  • 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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