BioLiP

PDB

BioLiP

PDB CCD ID:

D19

Number of entries in BioLiP:

Chemical formula:

C24 H28 N4 O

InChI:

InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+

InChIKey:

YKBBTHHMEIPZMC-PSWAGMNNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](NC1CC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[CH](N)NC5CC5
ACDLabs 10.04	o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5
CACTVS 3.341	N[C@@H](NC1CC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)[C@H](N)NC5CC5
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5

Name:

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

ZINC:

ZINC000019329485

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).