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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860607

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.91
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.9
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.9
XYD2,5-DIMETHYLANILINEA1L4L0.9
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.86
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
34A3,4-DIMETHYLANILINEA1L4K0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.85
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.85
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.85
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.85
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.84
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
PBZP-AMINO BENZAMIDINEA,B2BDG0.8
PBZP-AMINO BENZAMIDINEA1RFN0.8
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.8
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.8
PBZP-AMINO BENZAMIDINEA1FIZ0.8
PBZP-AMINO BENZAMIDINEA1FIW0.8
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.8
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.79
1AN2-FLUOROANILINEA1LGW0.78
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
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
SOAISATOIC ANHYDRIDEA1BIO0.77
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
5AN3,5-DIFLUOROANILINEA1LGX0.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
9AP9-AMINOPHENANTHRENEA1EGY0.75
3AB3-aminobenzamideA,B,C,D3GOY0.75
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
1MRN-METHYLANILINEX2OTZ0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
NYLN-ALLYL-ANILINEA1OVK0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
271N-methyl-1-phenylmethanamineX2RBT0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
SANSULFANILAMIDEA1AJ00.71
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
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7