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BioLiP

PDB CCD ID: 6XD
Number of entries in BioLiP: 2
Chemical formula: C17 H26 N4 O
InChI: InChI=1S/C17H26N4O/c22-16(19-2-1-4-21-5-3-18-12-21)20-17-9-13-6-14(10-17)8-15(7-13)11-17/h3,5,12-15H,1-2,4,6-11H2,(H2,19,20,22)/t13-,14+,15-,17-
InChIKey: JODLYBRKXRTSIK-LTBQPASTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3
CACTVS 3.385O=C(NCCCn1ccnc1)NC23CC4CC(CC(C4)C2)C3
Name:1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea
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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