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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00358355

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.77
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.74
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.76
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
1MRN-METHYLANILINEX2OTZ0.72
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
A8BA1ODC0.7
264(phenylamino)acetonitrileA2RBN0.75
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.73
NYLN-ALLYL-ANILINEA1OVK0.75
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.83
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
HFTHYDROXYFLUTAMIDEA2AX60.81
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.77
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.88