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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02413023

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
SANSULFANILAMIDEA1AJ00.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
1AN2-FLUOROANILINEA1LGW0.78
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
NINDINITROPHENYLENEA1RSM0.72
NINDINITROPHENYLENEA1GVY0.72
NINDINITROPHENYLENEA1GW10.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
1MRN-METHYLANILINEX2OTZ0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.73
3AB3-aminobenzamideA,B,C,D3GOY0.73
NBENITROSOBENZENEA1LH70.82
NBENITROSOBENZENEA2LH70.82
NBENITROSOBENZENEA2NSS0.82
271N-methyl-1-phenylmethanamineX2RBT0.71
9AP9-AMINOPHENANTHRENEA1EGY0.73
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
SOAISATOIC ANHYDRIDEA1BIO0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.86
PRY2-PROPYL-ANILINEA1OWY0.88
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
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
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.88
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.88
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.81
5AN3,5-DIFLUOROANILINEA1LGX0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.86
34A3,4-DIMETHYLANILINEA1L4K0.87
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
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
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.8
PNZP-NITRO-BENZYLAMINEA,B2C700.8
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74