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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246846

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
2HT3-methylbenzonitrileA,B3F880.74
OXEORTHO-XYLENEA,B3E0X0.85
OXEORTHO-XYLENEA188L0.85
3PL3-PHENYLPROPANALE1Y3G0.71
FPRPROPYLBENZENEC1RHK0.84
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.75
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.71
NPYNAPHTHALENEA,B1O7G0.75
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.78
DENINDENEA183L0.78
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
TLD4-methylbenzene-1,2-dithiolA2Z940.72
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
I4BISOBUTYLBENZENEA184L0.85
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
BDBA,B1KE30.83
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.79
N4BN-BUTYLBENZENEA186L0.84
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.73
PYLPHENYLETHANEC1B070.84
PYLPHENYLETHANEA,B2VRM0.84
PYLPHENYLETHANEA1NHB0.84
BPSA,B2DE40.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.72
1LPTRANYLCYPROMINEA,B1OJB0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.85
PMSBENZYLSULFINIC ACIDB1PNM0.73
PMSBENZYLSULFINIC ACIDA,B1SH70.73
PMSBENZYLSULFINIC ACIDB,C1BB00.73
PMSBENZYLSULFINIC ACIDA,B1S2N0.73
PMSBENZYLSULFINIC ACIDA,B1WB80.73
PMSBENZYLSULFINIC ACIDA,B,C3CE40.73
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.73
PMSBENZYLSULFINIC ACIDA3H180.73
PMSBENZYLSULFINIC ACIDA3H170.73
PMSBENZYLSULFINIC ACIDA2CBG0.73
PMSBENZYLSULFINIC ACIDA1SUP0.73
PMSBENZYLSULFINIC ACIDA,B1V6C0.73
PMSBENZYLSULFINIC ACIDA,B1WPR0.73
PMSBENZYLSULFINIC ACIDA,B1EQ90.73
PMSBENZYLSULFINIC ACIDA,B1AUR0.73
PMSBENZYLSULFINIC ACIDA1KLT0.73
PMSBENZYLSULFINIC ACIDB,C1CA80.73
PMSBENZYLSULFINIC ACIDA2GKO0.73
PMSBENZYLSULFINIC ACIDB,C,D1BA80.73
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.71
B69A2ZCR0.72
PXYPARA-XYLENEA187L0.82
PXYPARA-XYLENEA225L0.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76