Ki Summary

Reaction Details

Report a problem with these data

Target

Candidapepsin-2

Ligand

BDBM912

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_885955 (CHEMBL2215717)

IC50

90±n/a nM

Citation

Calugi, C; Trabocchi, A; De Bernardis, F; Arancia, S; Navarra, P; Cauda, R; Cassone, A; Guarna, A Bicyclic peptidomimetics targeting secreted aspartic protease 2 (SAP2) from Candida albicans reveal a constrained inhibitory chemotype. Bioorg Med Chem20:7206-13 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Candidapepsin-2

Name:

Candidapepsin-2

Synonyms:

ACP 2 | Aspartate protease 2 | CARP2_CANAX | PRA11 | PRA2 | SAP2 | Secreted aspartic protease 2

Type:

PROTEIN

Mol. Mass.:

42313.90

Organism:

Candida albicans

Description:

ChEMBL_885955

Residue:

398

Sequence:

MFLKNIFIALAIALLVDATPTTTKRSAGFVALDFSVVKTPKAFPVTNGQEGKTSKRQAVP
VTLHNEQVTYAADITVGSNNQKLNVIVDTGSSDLWVPDVNVDCQVTYSDQTADFCKQKGT
YDPSGSSASQDLNTPFKIGYGDGSSSQGTLYKDTVGFGGVSIKNQVLADVDSTSIDQGIL
GVGYKTNEAGGSYDNVPVTLKKQGVIAKNAYSLYLNSPDAATGQIIFGGVDNAKYSGSLI
ALPVTSDRELRISLGSVEVSGKTINTDNVDVLLDSGTTITYLQQDLADQIIKAFNGKLTQ
DSNGNSFYEVDCNLSGDVVFNFSKNAKISVPASEFAASLQGDDGQPYDKCQLLFDVNDAN
ILGDNFLRSAYIVYDLDDNEISLAQVKYTSASSISALT

BDBM912

n/a

Name

BDBM912

Synonyms:

(3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid | CHEMBL296588 | Iva-Val-Val-Sta-Ala-Sta-OH | N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid | PEPSTATIN | Pepstatine | US9115083, Pepstatin

Type

Small organic molecule

Emp. Form.

C34H63N5O9

Mol. Mass.

685.8921

SMILES

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|

Structure