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BioLiP

PDB CCD ID: 58G
Number of entries in BioLiP: 1
Chemical formula: C17 H19 N3 O
InChI: InChI=1S/C17H19N3O/c18-17(21)14-7-9-16(19-11-14)20-15-8-6-13(10-15)12-4-2-1-3-5-12/h1-5,7,9,11,13,15H,6,8,10H2,(H2,18,21)(H,19,20)/t13-,15+/m0/s1
InChIKey: JBSAILAEEJVXKB-DZGCQCFKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N
CACTVS 3.385NC(=O)c1ccc(N[C@@H]2CC[C@@H](C2)c3ccccc3)nc1
CACTVS 3.385NC(=O)c1ccc(N[CH]2CC[CH](C2)c3ccccc3)nc1
ACDLabs 12.01c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(N)=O
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(=O)N
Name:6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
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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