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BioLiP

PDB CCD ID: N1I
Number of entries in BioLiP: 1
Chemical formula: C10 H8 Cl2 N4 O2
InChI: InChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)5-7)10-13-15-16(14-10)2-1-9(17)18/h3-5H,1-2H2,(H,17,18)
InChIKey: YMGWXPAFPWBSIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(cc1Cl)Cl)c2nnn(n2)CCC(=O)O
ACDLabs 12.01OC(=O)CCn1nc(nn1)c1cc(Cl)cc(Cl)c1
CACTVS 3.385OC(=O)CCn1nnc(n1)c2cc(Cl)cc(Cl)c2
Name:3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
ChEMBL: CHEMBL3247891
ZINC: ZINC000169318035
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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