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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020700

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
HFTHYDROXYFLUTAMIDEA2AX60.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.78
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
CRIA,B1VKG0.74
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.71
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.85
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
BHOBENZHYDROXAMIC ACIDA,B1GX20.77
BHOBENZHYDROXAMIC ACIDA1HSR0.77
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.77
BHOBENZHYDROXAMIC ACIDA3GCK0.77
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.77
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.71
TSNTRICHOSTATIN AA,B1T640.76
TSNTRICHOSTATIN AA,B1C3R0.76
TSNTRICHOSTATIN AA,B,C3F0R0.76
TSNTRICHOSTATIN AA,B,C3C100.76
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.7
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
3AB3-aminobenzamideA,B,C,D3GOY0.87
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.74