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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00329650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.85
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.85
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A1PWD0.85
IP1ISOPENICILLIN NA1QJE0.7
P1CDEACETOXYCEPHALOSPORIN-CA1UOG0.92
P1CDEACETOXYCEPHALOSPORIN-CA1W2O0.92
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.73
HJ2(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-
5-methyl-3,6-dihydro-2H-1,3-thiazine-
4-carboxylic acid
A3BEC0.82
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.71
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.71
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.71
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.73
GTXS-HEXYLGLUTATHIONEA,B1AGS0.73
GTXS-HEXYLGLUTATHIONEA,B1PN90.73
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.73
GTXS-HEXYLGLUTATHIONEA,B2IMK0.73
GTXS-HEXYLGLUTATHIONEA,B4GSS0.73
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.73
GTXS-HEXYLGLUTATHIONEA,B2GLR0.73
GTXS-HEXYLGLUTATHIONEA,B2OA70.73
GTXS-HEXYLGLUTATHIONEA,C2AAW0.73
GTXS-HEXYLGLUTATHIONEA,B1VF20.73
GTXS-HEXYLGLUTATHIONEA1M9A0.73
GTXS-HEXYLGLUTATHIONEA,B17GS0.73
GTXS-HEXYLGLUTATHIONEA,B1K0A0.73
GTXS-HEXYLGLUTATHIONEA,B2R3X0.73
GTXS-HEXYLGLUTATHIONEA,B1GSU0.73
GTXS-HEXYLGLUTATHIONEA,B2C800.73
GTXS-HEXYLGLUTATHIONEA,B2R6K0.73
GTXS-HEXYLGLUTATHIONEA,B1PGT0.73
GTXS-HEXYLGLUTATHIONEA,B2J9H0.73
GTXS-HEXYLGLUTATHIONEA,B1K3L0.73
GTXS-HEXYLGLUTATHIONEA,B1GNW0.73
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.73
GTXS-HEXYLGLUTATHIONEA,B1YDK0.73
GTXS-HEXYLGLUTATHIONEA,B9GSS0.73
CEN7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACIDA,B1JVZ0.93