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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9AP9-AMINOPHENANTHRENEA1EGY0.72
PRY2-PROPYL-ANILINEA1OWY0.86
5AN3,5-DIFLUOROANILINEA1LGX0.73
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
3AB3-aminobenzamideA,B,C,D3GOY0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.77
34A3,4-DIMETHYLANILINEA1L4K0.85
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.74
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
1AN2-FLUOROANILINEA1LGW0.75
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
271N-methyl-1-phenylmethanamineX2RBT0.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.87
XYD2,5-DIMETHYLANILINEA1L4L0.87
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.73
DPKDEPRENYLA,B2BYB0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
1MRN-METHYLANILINEX2OTZ0.71