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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178591

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
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.91
PNZP-NITRO-BENZYLAMINEA,B2C700.91
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
HFTHYDROXYFLUTAMIDEA2AX60.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
9AP9-AMINOPHENANTHRENEA1EGY0.74
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
34A3,4-DIMETHYLANILINEA1L4K0.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
PRY2-PROPYL-ANILINEA1OWY0.81
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.73
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.81
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76