Drug Details

Name:

Pepstatine

PubChem ID:

5478883

Pathway:

Show KEGG pathways

InChI:

InChI=1/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1/f/h35-39,44H

SMILES:

CC(C)C[C@@H]([C@@H](CC(N[C@H](C)C(N[C@H](CC(C)C)[C@@H](CC(O)=O)O)=O)=O)O)NC([C@@H](C(C)C)NC([C@@H](C(C)C)NC(CC(C)C)=O)=O)=O

Properties:

Formula:	C34H63N5O9	Atoms:	55
Molecular Weight:	685.892	Rotatable Bonds:	27
H-bond Acceptors:	14	H-bond Donors:	0
logP:	3.4217

Targets:

Name	Uniprot ID	Source	References	Interaction
Caspase	ICE_DROME	PROMISCUOUS	PMID 11423908	shows
Cathepsin D	CATD_HUMAN	PROMISCUOUS	PMID 16307463	shows
Cathepsin D	CATD_RAT	PROMISCUOUS	PMID 2578110	shows
Rhizopuspepsin	CARP_RHICH	PROMISCUOUS	PMID 8393577	shows

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Synonyms:

(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methy

1lyb

1sme

26305-03-3

3-HYDROXY-4-ISOBUTYL-4-[AMINOCARBONYLETHYL(AMINO CARBONYL-2-HYDROXY-5-METHYLHEXYL)TRI(AMINOCARBONYL ISOBUTYL)]BUTANOIC ACID

4er2

6apr

AB00513830

AC1NUHKG

AIDS-000247

AIDS000247

Bio1_000404

Bio1_000893

Bio1_001382

Bio2_000340

Bio2_000820

BPBio1_000364

BRD-K13571841-001-03-7

BSPBio_000330

BSPBio_001000

CHEMBL296588

CPD-11291

D03818

HMS1362B21

HMS1792B21

HMS1990B21

HMS2096A12

HMS2233I07

IDI1_002095

IHN

Iva-Val-Val-Sta-Ala-Sta-OH

KBio2_000340

KBio2_002908

KBio2_005476

KBio3_000679

KBio3_000680

KBioGR_000340

KBioSS_000340

MLS000069747

MLS002207302

MLS002222329

MolPort-006-124-949

N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid

NCGC00161670-01

NCGC00161670-02

NCGC00161670-03

NCGC00161670-04

NSC272671

Pepstatin

Pepstatin (USAN/INN)

Pepstatin A

Pepstatine

Prestwick3_000405

SMR000059191

SMR001307268

UPCMLD-DP141

UPCMLD-DP141:001

UPCMLD-DP141:002

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