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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024555

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
BZZBENZYLHYDRAZINEA,B2E2V0.75
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
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
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
1MRN-METHYLANILINEX2OTZ0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.93
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
3AB3-aminobenzamideA,B,C,D3GOY0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.74
ANCANTHRACEN-1-YLAMINEA,B1HN20.74
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
9AP9-AMINOPHENANTHRENEA1EGY0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
NYLN-ALLYL-ANILINEA1OVK0.75
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
34A3,4-DIMETHYLANILINEA1L4K0.82
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
PRY2-PROPYL-ANILINEA1OWY0.87
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.93
ISOPARA-ISOPROPYLANILINEA1BMA0.82
ISOPARA-ISOPROPYLANILINEA,B1ELC0.82
ISOPARA-ISOPROPYLANILINEA,B1ELB0.82
ISOPARA-ISOPROPYLANILINEA,B1ELA0.82
264(phenylamino)acetonitrileA2RBN0.74
271N-methyl-1-phenylmethanamineX2RBT0.73
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.77
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
5AN3,5-DIFLUOROANILINEA1LGX0.81
SOAISATOIC ANHYDRIDEA1BIO0.72
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
1AN2-FLUOROANILINEA1LGW0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.87
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.87
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.82
PNZP-NITRO-BENZYLAMINEA,B2C700.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.83
FBA4-FLUOROBENZYLAMINEA1TNH0.83
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
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
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72