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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313914

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
MBNTOLUENEA,B3D7O0.78
MBNTOLUENEA,B1R1X0.78
MBNTOLUENEA,B1JLX0.78
MBNTOLUENEA,B,C,D3D170.78
MBNTOLUENEA,B2VRL0.78
MBNTOLUENEA,I2Z3E0.78
MBNTOLUENEA,B1YZI0.78
MBNTOLUENEA,B2DN10.78
MBNTOLUENEA,B3EN10.78
DENINDENEA183L0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.79
HY1PHENYLACETALDEHYDED,H2I0S0.84
HY1PHENYLACETALDEHYDEA,B1D6Y0.84
HY1PHENYLACETALDEHYDEA,B1D6Z0.84
HY1PHENYLACETALDEHYDED,H2OK40.84
HY1PHENYLACETALDEHYDEA,B1D6U0.84
PA0Phenylarsine oxideA3E3Z0.71
1LPTRANYLCYPROMINEA,B1OJB0.8
HBXbenzaldehydeA,B3GDN0.79
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.72
BDBA,B1KE30.72
FPRPROPYLBENZENEC1RHK0.78
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
3PL3-PHENYLPROPANALE1Y3G0.86
I4BISOBUTYLBENZENEA184L0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
2HT3-methylbenzonitrileA,B3F880.71
N4BN-BUTYLBENZENEA186L0.78
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76