Compound ID | 2242

Update compound information

MAD1

Class: Antimicrobial peptide

Details of activity: Active against Mycobacterium tuberculosis; preferentially binds to mycomembranes
Description: Synthetic compound; rationally designed biomimetic peptide; weakly active against mammalian cell membrane; based on mycobacterial-specific porin, MspA
Year first mentioned: 2021
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 1966.29
Iso. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)N
InChI Key: ZBAJHFNGYUVVPZ-ZJZZMTSFSA-N
Can. SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)N
InChI: InChI=1S/C84H140N24O26S2/c1-13-43(8)66(108-80(131)59(38-62(87)111)107-73(124)52(28-32-135-11)96-69(120)48(85)16-14-30-92-83(88)89)81(132)100-49(22-25-61(86)110)71(122)99-53(29-33-136-12)74(125)103-57(36-42(6)7)77(128)104-55(34-40(2)3)75(126)97-50(23-26-63(112)113)70(121)95-44(9)67(118)94-45(10)68(119)102-60(39-65(116)117)79(130)106-58(37-46-18-20-47(109)21-19-46)78(129)105-56(35-41(4)5)76(127)98-51(24-27-64(114)115)72(123)101-54(82(133)134)17-15-31-93-84(90)91/h18-21,40-45,48-60,66,109H,13-17,22-39,85H2,1-12H3,(H2,86,110)(H2,87,111)(H,94,118)(H,95,121)(H,96,120)(H,97,126)(H,98,127)(H,99,122)(H,100,132)(H,101,123)(H,102,119)(H,103,125)(H,104,128)(H,105,129)(H,106,130)(H,107,124)(H,108,131)(H,112,113)(H,114,115)(H,116,117)(H,133,134)(H4,88,89,92)(H4,90,91,93)/t43-,44-,45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
External links:
Citation: https://www.nature.com/articles/s41551-020-00665-x

AntibioticDB is supported by GARDP.

If you have feedback, experience problems, or are interested in a collaboration, please contact us. | Terms and conditions

The content of this site is intended for educational and scientific research purposes only and not as a source of medical advice or consultation.