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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00602546

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.73
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.74
CRIA,B1VKG0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.78
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.72
PYQPYROQUILONA1JA90.73
PYQPYROQUILONA,B,C,D1G0O0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.73
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.77
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
AAHH1KEL0.75
AAHB,H1FL60.75
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID
A2F6Z0.72
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
TSNTRICHOSTATIN AA,B1T640.75
TSNTRICHOSTATIN AA,B1C3R0.75
TSNTRICHOSTATIN AA,B,C3F0R0.75
TSNTRICHOSTATIN AA,B,C3C100.75
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.72
PZQPRAZIQUANTELA1GTB0.71
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.74
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
FEXA1OSH0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.72