SEQ2FUN

BioLiP

PDB CCD ID: 172
Number of entries in BioLiP: 3
Chemical formula: C7 H7 N3 O
InChI: InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H3,8,9,10)
InChIKey: FNSYWIPPPFVBAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc2ccc1c(nc(n1)N)c2
CACTVS 3.341Nc1[nH]c2ccc(O)cc2n1
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)nc([nH]2)N
Name:2-AMINO-5-HYDROXY-BENZIMIDAZOLE
ChEMBL: CHEMBL126589
DrugBank: DB03729
ZINC: ZINC000005117282
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).