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BioLiP

PDB CCD ID: 26L
Number of entries in BioLiP: 1
Chemical formula: C22 H23 N5
InChI: InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1
InChIKey: LODPYXJMYAQIRB-WOJBJXKFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)NC5CCCCC5N
ACDLabs 12.01n1c(ccn2ncc(c12)c4cc3ccccc3cc4)NC5CCCCC5N
CACTVS 3.385N[CH]1CCCC[CH]1Nc2ccn3ncc(c4ccc5ccccc5c4)c3n2
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N
CACTVS 3.385N[C@@H]1CCCC[C@H]1Nc2ccn3ncc(c4ccc5ccccc5c4)c3n2
Name:(1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
ChEMBL: CHEMBL2442317
ZINC: ZINC000095920921
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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