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BioLiP

PDB CCD ID: 015
Number of entries in BioLiP: 0
Chemical formula: C18 H24 N2 O
InChI: InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1
InChIKey: BIZHLXOOWGXFLC-BZSNNMDCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(C(N)Cc1ccccc1)CC(N)Cc2ccccc2
CACTVS 3.370N[CH](C[CH](O)[CH](N)Cc1ccccc1)Cc2ccccc2
CACTVS 3.370N[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)Cc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)N
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N
Name:(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol
ZINC: ZINC000021989078
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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