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BioLiP

PDB CCD ID: 7OM
Number of entries in BioLiP: 4
Chemical formula: C22 H22 N6 O
InChI: InChI=1S/C22H22N6O/c1-15-11-20(28-22(25-15)23-14-24-28)27-10-4-7-18(13-27)21(29)26-19-9-8-16-5-2-3-6-17(16)12-19/h2-3,5-6,8-9,11-12,14,18H,4,7,10,13H2,1H3,(H,26,29)/t18-/m1/s1
InChIKey: KSNJADIQOHDVML-GOSISDBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(n2c(n1)ncn2)N3CCCC(C3)C(=O)Nc4ccc5ccccc5c4
CACTVS 3.385Cc1cc(N2CCC[C@H](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1
CACTVS 3.385Cc1cc(N2CCC[CH](C2)C(=O)Nc3ccc4ccccc4c3)n5ncnc5n1
OpenEye OEToolkits 2.0.7Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4
Name:(3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide
ZINC: ZINC000584905396
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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