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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01536234

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.76
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.73
KCP2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYL-3,6-DIHYDRO-2H-
[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.75
THN2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYLENE-5,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.73
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.77
CEO5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-
2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVM0.71
NCF(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-
5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID
A,B,C,D1W8Y0.73
CS3S-[3-OXO-3-(2-THIENYL)PROPYL]-L-
CYSTEINE
A2OQW0.8
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.74
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.73
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.73
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.73
TIHBETA(2-THIENYL)ALANINEA1MMK0.73
TIHBETA(2-THIENYL)ALANINEB1EOJ0.73
TIHBETA(2-THIENYL)ALANINEA1KW00.73
TIHBETA(2-THIENYL)ALANINEA1BDK0.73
CED5-METHYL-2-[2-OXO-1-(2-THIOPHEN-
2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A1GHM0.72