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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01405397

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
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.77
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.72
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.87
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.78
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.78
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.73
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.84
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.79
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.89
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.7
271N-methyl-1-phenylmethanamineX2RBT0.73
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.76
BZZBENZYLHYDRAZINEA,B2E2V0.71
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
DPKDEPRENYLA,B2BYB0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.88
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.74