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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00459409

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.85
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.82
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.79
NYLN-ALLYL-ANILINEA1OVK0.71
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL70.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL60.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CE20.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2EVW0.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL00.75
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CLC0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.78
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
1MRN-METHYLANILINEX2OTZ0.7
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.73
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.73
FQX[1,2,5]oxadiazolo[3,4-g]quinoxaline-
6,7(5H,8H)-dione 1-oxide
B,C,D,P3BKI0.71
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.78
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.72
HFTHYDROXYFLUTAMIDEA2AX60.76
264(phenylamino)acetonitrileA2RBN0.7
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.78
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71