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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01058115

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.74
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QA30.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2Q7W0.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QBT0.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB30.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB20.81
CS3S-[3-OXO-3-(2-THIENYL)PROPYL]-L-
CYSTEINE
A2OQW0.73
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.82
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.82
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.82
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.82
UBE3-({3-[(2S)-2-amino-2-carboxyethyl]-
5-methyl-2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)-5-phenylthiophene-
2-carboxylic acid
A,B2QS30.73
KCP2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYL-3,6-DIHYDRO-2H-
[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
UBF3-({3-[(2S)-2-amino-2-carboxyethyl]-
5-bromo-2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)thiophene-2-carboxylic acid
A,B2QS20.71
GV93-(acetylamino)thiophene-2-carboxylic acidA,B3GV90.71
C21THIOPHENE-2-CARBOXYLIC ACIDA,B2HDQ0.73
CEPCEPHALOTHIN GROUPA1CEG0.7
CEPCEPHALOTHIN GROUPA1IYP0.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.71
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.7
THN2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYLENE-5,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.71
UBA(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-
5-METHYLPYRIMIDINE-2,4-DIONE
A,B2F340.73
UBA(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-
5-METHYLPYRIMIDINE-2,4-DIONE
A,B2OJT0.73
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.77
TIHBETA(2-THIENYL)ALANINEA1MMK0.74
TIHBETA(2-THIENYL)ALANINEB1EOJ0.74
TIHBETA(2-THIENYL)ALANINEA1KW00.74
TIHBETA(2-THIENYL)ALANINEA1BDK0.74
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.71