BioLiP

PDB

BioLiP

PDB CCD ID:

D18

Number of entries in BioLiP:

Chemical formula:

C24 H32 N4 O

InChI:

InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)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+

InChIKey:

MLUJKSDBDBJFEG-PSWAGMNNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)N[CH](N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)[CH](N)NC(C)C
OpenEye OEToolkits 1.5.0	CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N
CACTVS 3.341	CC(C)N[C@H](N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3)[C@H](N)NC(C)C
ACDLabs 10.04	o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C

Name:

2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN;
FURAMIDINE DERIVATIVE

ZINC:

ZINC000019329252

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).