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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00053149

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
1AN2-FLUOROANILINEA1LGW0.86
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
1MRN-METHYLANILINEX2OTZ0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
34A3,4-DIMETHYLANILINEA1L4K0.89
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.86
5AN3,5-DIFLUOROANILINEA1LGX0.86
NYLN-ALLYL-ANILINEA1OVK0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.89
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
271N-methyl-1-phenylmethanamineX2RBT0.71
9AP9-AMINOPHENANTHRENEA1EGY0.75
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.91
XYD2,5-DIMETHYLANILINEA1L4L0.91
3AB3-aminobenzamideA,B,C,D3GOY0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.96
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.9
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.9
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.9
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.76
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.76
ANCANTHRACEN-1-YLAMINEA,B1HN20.76
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.79
FBA4-FLUOROBENZYLAMINEA1TNH0.79
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
SOAISATOIC ANHYDRIDEA1BIO0.72
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
A2GG50.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
ANLANILINEA2OV40.82
ANLANILINEA1AEE0.82
ANLANILINEA1PPA0.82
ANLANILINEA1HJ90.82
PRY2-PROPYL-ANILINEA1OWY0.9
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
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
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8