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BioLiP Library

PDB CCD ID: 4ZF
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N3 O2
InChI: InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,14-15H,(H,16,17)/b10-8-
InChIKey: NYULOUAUQQHVOB-NTMALXAHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C=2\C(c1c(cccc1)N=2)=C3/C=C(C(=O)O)NN3
OpenEye OEToolkits 1.9.2c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2
CACTVS 3.385OC(=O)C1=CC(NN1)=C2C=Nc3ccccc23
CACTVS 3.385OC(=O)C1=C\C(NN1)=C2/C=Nc3ccccc23
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=C3C=C(NN3)C(=O)O)C=N2
Name:(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid
ZINC: ZINC000136384163
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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