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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03917442

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
3AB3-aminobenzamideA,B,C,D3GOY0.72
NINDINITROPHENYLENEA1RSM0.78
NINDINITROPHENYLENEA1GVY0.78
NINDINITROPHENYLENEA1GW10.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.84
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
9AP9-AMINOPHENANTHRENEA1EGY0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
264(phenylamino)acetonitrileA2RBN0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.96
PNZP-NITRO-BENZYLAMINEA,B2C700.96
NYLN-ALLYL-ANILINEA1OVK0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
TNL2,4,6-TRINITROTOLUENEA1GVR0.82
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.72
NBZNITROBENZENEA,B2BMQ0.81
NBZNITROBENZENEA,B3BGU0.81
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.88
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
HFTHYDROXYFLUTAMIDEA2AX60.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
1AN2-FLUOROANILINEA1LGW0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.71
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.77
34A3,4-DIMETHYLANILINEA1L4K0.8
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
PRY2-PROPYL-ANILINEA1OWY0.8
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
NIT4-NITROANILINEC,D1RMH0.84
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.84
NIT4-NITROANILINEB1VBS0.84
NIT4-NITROANILINEC1V9T0.84
NIT4-NITROANILINEC,D1VBT0.84
NIT4-NITROANILINEB1LOP0.84
NIT4-NITROANILINEC,D1ZKF0.84
NIT4-NITROANILINEB1PIP0.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.79
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71