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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006769

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.72
ISNISATINA,B1OJA0.74
ISNISATINA,B2BK50.74
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.75
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
3AB3-aminobenzamideA,B,C,D3GOY0.83
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.79
BHOBENZHYDROXAMIC ACIDA1HSR0.79
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.79
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.79
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.79
BHOBENZHYDROXAMIC ACIDA3GCK0.79
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.79
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.82