English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

V4D

Summary

Name:	4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
Formula:	C17 H15 N7 O3 S
Formal charge:	0
Formula weight:	397.411 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	4-[[4-azanyl-6-(1~{H}-indol-5-yloxy)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(S(N)(=O)=O)ccc(Nc1nc(N)nc(n1)Oc2cc3c(cc2)ncc3)c4
InChI	InChI	1.03	InChI=1S/C17H15N7O3S/c18-15-22-16(21-11-1-4-13(5-2-11)28(19,25)26)24-17(23-15)27-12-3-6-14-10(9-12)7-8-20-14/h1-9,20H,(H2,19,25,26)(H3,18,21,22,23,24)
InChIKey	InChI	1.03	NLUNRZKTOSCDJH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc(Oc3ccc4[nH]ccc4c3)n1
SMILES	CACTVS	3.385	Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)nc(Oc3ccc4[nH]ccc4c3)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon