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BioLiP Library

PDB CCD ID: D5I
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N3 O2
InChI: InChI=1S/C17H21N3O2/c21-15(14-1-3-18-4-2-14)19-20-16(22)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,21)(H,20,22)/t11-,12+,13-,17-
InChIKey: VXKCGGYPMLXZKG-FBBPANFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3
CACTVS 3.385O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c4ccncc4
ACDLabs 12.01O=C(NNC(=O)C13CC2CC(C1)CC(C2)C3)c4ccncc4
Name:N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
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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