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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03005017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.85
XYD2,5-DIMETHYLANILINEA1L4L0.85
ISOPARA-ISOPROPYLANILINEA1BMA0.85
ISOPARA-ISOPROPYLANILINEA,B1ELC0.85
ISOPARA-ISOPROPYLANILINEA,B1ELB0.85
ISOPARA-ISOPROPYLANILINEA,B1ELA0.85
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.83
PRY2-PROPYL-ANILINEA1OWY0.86
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.75
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
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.78
5AN3,5-DIFLUOROANILINEA1LGX0.74
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.84
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.84
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
34A3,4-DIMETHYLANILINEA1L4K0.85
1MRN-METHYLANILINEX2OTZ0.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
3AB3-aminobenzamideA,B,C,D3GOY0.73
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.7
9AP9-AMINOPHENANTHRENEA1EGY0.73
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.76
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.98
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
SANSULFANILAMIDEA1AJ00.76
1AN2-FLUOROANILINEA1LGW0.76
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
SOAISATOIC ANHYDRIDEA1BIO0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.85
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.75
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
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
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71