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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02345889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.73
DENINDENEA183L0.73
B08A,B2E990.72
B70tripotassium (1R)-4-biphenyl-4-
yl-1-phosphonatobutane-1-sulfonate
A2ZCS0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.81
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.79
B69A2ZCR0.76
FPRPROPYLBENZENEC1RHK0.78
NPYNAPHTHALENEA,B1O7G0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.76
I4BISOBUTYLBENZENEA184L0.79
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.82
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.7
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.83
BDBA,B1KE30.79
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.8
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.8
B28A,B2E9A0.71
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
N4BN-BUTYLBENZENEA186L0.78
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.75
FNP{[7-(DIFLUORO-PHOSPHONO-METHYL)-
NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-
PHOSPHONIC ACID
A1KAK0.74
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71