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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02848450

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
N4BN-BUTYLBENZENEA186L0.83
ABNBENZYLAMINED,H2HXC0.8
ABNBENZYLAMINEA,I1A860.8
ABNBENZYLAMINEA1UTN0.8
ABNBENZYLAMINEA1N6X0.8
ABNBENZYLAMINEA2BZA0.8
ABNBENZYLAMINEA2EUS0.8
ABNBENZYLAMINEA1N6Y0.8
ABNBENZYLAMINEA1UTJ0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
271N-methyl-1-phenylmethanamineX2RBT0.82
BZZBENZYLHYDRAZINEA,B2E2V0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
DENINDENEA183L0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.77
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.77
PYLPHENYLETHANEC1B070.83
PYLPHENYLETHANEA,B2VRM0.83
PYLPHENYLETHANEA1NHB0.83
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.77
FBA4-FLUOROBENZYLAMINEA1TNH0.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
TLD4-methylbenzene-1,2-dithiolA2Z940.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.89
2HT3-methylbenzonitrileA,B3F880.77
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.82
DPKDEPRENYLA,B2BYB0.89
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.7
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
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.76
OXEORTHO-XYLENEA,B3E0X0.8
OXEORTHO-XYLENEA188L0.8
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.82
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.81
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
FPRPROPYLBENZENEC1RHK0.83
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.78
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.74
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.74
BDBA,B1KE30.71
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.7
PXYPARA-XYLENEA187L0.83
PXYPARA-XYLENEA225L0.83
MBNTOLUENEA,B3D7O0.83
MBNTOLUENEA,B1R1X0.83
MBNTOLUENEA,B1JLX0.83
MBNTOLUENEA,B,C,D3D170.83
MBNTOLUENEA,B2VRL0.83
MBNTOLUENEA,I2Z3E0.83
MBNTOLUENEA,B1YZI0.83
MBNTOLUENEA,B2DN10.83
MBNTOLUENEA,B3EN10.83
I4BISOBUTYLBENZENEA184L0.8
NPYNAPHTHALENEA,B1O7G0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7