SEQ2FUN

BioLiP

PDB CCD ID: 42Z
Number of entries in BioLiP: 2
Chemical formula: C10 H7 Cl2 N3 O3
InChI: InChI=1S/C10H7Cl2N3O3/c11-4-1-6-7(2-5(4)12)15-9(14-6)10(18)13-3-8(16)17/h1-2H,3H2,(H,13,18)(H,14,15)(H,16,17)
InChIKey: ALMZPAHRESNZRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O
CACTVS 3.370OC(=O)CNC(=O)c1[nH]c2cc(Cl)c(Cl)cc2n1
ACDLabs 12.01O=C(O)CNC(=O)c2nc1cc(Cl)c(Cl)cc1n2
Name:N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine
ChEMBL: CHEMBL1230217
ZINC: ZINC000058626908
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).