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BioLiP Library

PDB CCD ID: BYJ
Number of entries in BioLiP: 4
Chemical formula: C18 H25 N3
InChI: InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)
InChIKey: CUTMJYPBBFYFJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC
CACTVS 3.385CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1
ACDLabs 12.01Nc1cc(C)cc(n1)CCc2cccc(c2)CCCNC
Name:4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
ChEMBL: CHEMBL4103382
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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