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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03166893

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.7
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.7
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.7
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.81
I4BISOBUTYLBENZENEA184L0.77
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
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
HBXbenzaldehydeA,B3GDN0.8
N4BN-BUTYLBENZENEA186L0.79
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PYLPHENYLETHANEC1B070.79
PYLPHENYLETHANEA,B2VRM0.79
PYLPHENYLETHANEA1NHB0.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
PXYPARA-XYLENEA187L0.79
PXYPARA-XYLENEA225L0.79
MBNTOLUENEA,B3D7O0.79
MBNTOLUENEA,B1R1X0.79
MBNTOLUENEA,B1JLX0.79
MBNTOLUENEA,B,C,D3D170.79
MBNTOLUENEA,B2VRL0.79
MBNTOLUENEA,I2Z3E0.79
MBNTOLUENEA,B1YZI0.79
MBNTOLUENEA,B2DN10.79
MBNTOLUENEA,B3EN10.79
HY1PHENYLACETALDEHYDED,H2I0S0.87
HY1PHENYLACETALDEHYDEA,B1D6Y0.87
HY1PHENYLACETALDEHYDEA,B1D6Z0.87
HY1PHENYLACETALDEHYDED,H2OK40.87
HY1PHENYLACETALDEHYDEA,B1D6U0.87
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.75
1LPTRANYLCYPROMINEA,B1OJB0.85
3PL3-PHENYLPROPANALE1Y3G0.89
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
DENINDENEA183L0.71
BDBA,B1KE30.71
FPRPROPYLBENZENEC1RHK0.79