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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: VHB
Number of entries in BioLiP: 1
Chemical formula: C19 H13 Cl N6 O
InChI: InChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27)
InChIKey: SDOMHVYWCBCKFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl
CACTVS 3.385Cn1cc(cn1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23
Name:2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChEMBL: CHEMBL5080619

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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