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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046481

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
1MRN-METHYLANILINEX2OTZ0.74
3NT3-NITROTOLUENEA,B2BMR0.84
3NT3-NITROTOLUENEA,B2HMO0.84
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
HFTHYDROXYFLUTAMIDEA2AX60.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.89
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.93
PNZP-NITRO-BENZYLAMINEA,B2C700.93
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
PRY2-PROPYL-ANILINEA1OWY0.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.71
NYLN-ALLYL-ANILINEA1OVK0.75
AAHH1KEL0.73
AAHB,H1FL60.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
264(phenylamino)acetonitrileA2RBN0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
271N-methyl-1-phenylmethanamineX2RBT0.77
TNSA,B,L2G2R0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.81
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.75
34A3,4-DIMETHYLANILINEA1L4K0.76
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.74