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BioLiP Library

PDB CCD ID: AF4
Number of entries in BioLiP: 0
Chemical formula: C24 H32 N4 O
InChI: InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-22(29-14-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24?/m0/s1
InChIKey: ORNNYBSMFUUDJI-UXMRNZNESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)N[C@H](N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)[C@@H](N)NC(C)C
OpenEye OEToolkits 1.5.0CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N
CACTVS 3.341CC(C)N[CH](N)c1ccc(cc1)c2occ(c2)c3ccc(cc3)[CH](N)NC(C)C
ACDLabs 10.04o2c(cc(c1ccc(cc1)C(N)NC(C)C)c2)c3ccc(cc3)C(N)NC(C)C
Name:2,4-BIS{[4-(N-ISOPORPYL)DIAMINOMETHYL]PHENYL}FURAN
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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