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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03569159

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
6CL6-CARBOXYLYSINEU2AIZ0.72
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.7
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.72
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.72
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.7
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.7
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.7
DOA12-AMINO-DODECANOIC ACIDA2DCX0.7
DOA12-AMINO-DODECANOIC ACIDB1EOL0.7
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.7
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.7
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.7
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.72
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.74
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.74
NPI2-AMINOPIMELIC ACIDA2TDT0.73
NPI2-AMINOPIMELIC ACIDA1KGQ0.73
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.72
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.72
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.72
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.72
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.89
CHGCYCLOHEXYL-GLYCINEH,I4THN0.89
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.89
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.89
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.7
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.75
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.74
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.74
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.7
ZAL3-cyclohexyl-D-alanineI1HBT0.88
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.73
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.73
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.88
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.88
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.75
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.8
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.8