Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	2-N-(4-aminophenyl)benzene-1,2-diamine
Molecular formula	C12H13N3
IUPAC name	2-N-(4-aminophenyl)benzene-1,2-diamine
Molecular weight	199.257
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.1
Synonyms	DDLOISMWPUUWPL-UHFFFAOYSA-N N-(4-aminophenyl)benzene-1,2-diamine ZINC262111 4907-43-1 BDBM37692 HMS2436I04 SCHEMBL1636651 (2-amino-phenyl)-(4-amino-phenyl)-amine cid_774866 MLS000100681 SR-01000390472-1 AC1LGOKH DTXSID60354490 N2-(4-aminophenyl)benzene-1,2-diamine MCULE-3534101562 SMR000015718 (2-aminophenyl)-(4-aminophenyl)amine CTK1D1044 MolPort-003-719-892 UNM000002426702 AKOS001588170 EU-0000264 Oprea1_462403 CHEMBL1597827 MLS000084680 SR-01000390472 1,2-Benzenediamine, N-(4-aminophenyl)- [ Show all ]
Inchi Key	DDLOISMWPUUWPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2
PubChem CID	774866
ChEMBL	CHEMBL1597827
IUPHAR	N/A
BindingDB	37692
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
57178	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
57177	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417