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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03080020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
A1FQ70.7
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I4ER10.7
CAL5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOBUTYL-HEXANOIC ACID
I3ER30.7
AFC(3R,12R)-3-AMINO-12-METHYLTETRADECANALA2IGZ0.72
6CL6-CARBOXYLYSINEU2AIZ0.7
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.77
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.77
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.7
API2,6-DIAMINOPIMELIC ACIDA2DAP0.7
API2,6-DIAMINOPIMELIC ACIDE,S148L0.7
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.74
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.74
DOA12-AMINO-DODECANOIC ACIDA2DCX0.74
DOA12-AMINO-DODECANOIC ACIDB1EOL0.74
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.78
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.78
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.78
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.78
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.78
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.78
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.78
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.73
DFO2,2-DIFLUORO-3-HYDROSTATINEE,I1APV0.76
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1CEB0.75
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID
A1B2I0.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.79
CHGCYCLOHEXYL-GLYCINEH,I4THN0.79
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.79
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.79
CFS4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO-
3-HYDROXY-PENTANOIC ACID
A1FQ80.73
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.7
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.7
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.7
DFI2,2-DIFLUOROSTATINEE,I1APW0.7
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COJ0.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B,C2EJ30.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2A1H0.79
GBN[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACIDA,B2COI0.79
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.72
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.81
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.81
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.7
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.7