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BioLiP

PDB CCD ID: BZH
Number of entries in BioLiP: 10
Chemical formula: C12 H14 N4 O3
InChI: InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)
InChIKey: KYOKAWLLGVBQKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N
CACTVS 3.341Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1
ACDLabs 10.04O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2
Name:5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID
ZINC: ZINC000058626692
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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