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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03287161

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.77
CPI6-CARBOXYPIPERIDINEB1EOL0.77
CPI6-CARBOXYPIPERIDINEB1EOJ0.77
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.77
CPI6-CARBOXYPIPERIDINEA,B2ITK0.77
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.77
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1HXB0.78
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGU0.78
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGV0.78
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1MTB0.78
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.86
LY5(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-
4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-
3-carboxylic acid
A,B,C,D2QS40.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.73
MLEN-METHYLLEUCINEA,D2J9A0.73
MLEN-METHYLLEUCINEC1IKF0.73
MLEN-METHYLLEUCINEA,M,N2Z6W0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.73
MLEN-METHYLLEUCINED,E,F1XQ70.73
MLEN-METHYLLEUCINEC1CWA0.73
MLEN-METHYLLEUCINEC1CWF0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MLEN-METHYLLEUCINEB3CYS0.73
MLEN-METHYLLEUCINEC1CWH0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.73
MLEN-METHYLLEUCINEC1CYN0.73
MLEN-METHYLLEUCINEA1LV90.73
MLEN-METHYLLEUCINEC,D2OJU0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MLEN-METHYLLEUCINEA1IKM0.73
MLEN-METHYLLEUCINEC1CWK0.73
MLEN-METHYLLEUCINEA,B2HG80.73
MLEN-METHYLLEUCINEC1CWB0.73
MLEN-METHYLLEUCINEC1CWJ0.73
MLEN-METHYLLEUCINEA1CYB0.73
MLEN-METHYLLEUCINED1QNG0.73
MLEN-METHYLLEUCINEB1MIK0.73
MLEN-METHYLLEUCINEA1CSA0.73
MLEN-METHYLLEUCINEC1CWL0.73
MLEN-METHYLLEUCINEA1CYA0.73
MLEN-METHYLLEUCINEA,B,D1MF80.73
MLEN-METHYLLEUCINEC1BCK0.73
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.73
MLEN-METHYLLEUCINEC1CWC0.73
MLEN-METHYLLEUCINEC1CWI0.73
MLEN-METHYLLEUCINEC,D1QNH0.73
MLEN-METHYLLEUCINEB,D,F,H2RMC0.73
MLEN-METHYLLEUCINEC1CWM0.73
MLEN-METHYLLEUCINET,U,V2POY0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MLEN-METHYLLEUCINEC1CWO0.73
MLEN-METHYLLEUCINEA1IKL0.73
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1BB00.73
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINE11YYY0.73
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1CA80.73
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.73
1PI3-(1-CARBAMIMIDOYL-PIPERIDIN-3-
YL)-L-ALANINE
A,B1ZZZ0.73
CHFCYCLOHEXYLFLUOROSTATONEE1EPR0.7
CHFCYCLOHEXYLFLUOROSTATONEA,B1OD10.7
CHFCYCLOHEXYLFLUOROSTATONEA,I2JXR0.7
CHFCYCLOHEXYLFLUOROSTATONEA,B2VS20.7
CHFCYCLOHEXYLFLUOROSTATONEI1EPO0.7
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJJ0.7
CHFCYCLOHEXYLFLUOROSTATONEA,B2JJI0.7
CYJ(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-
4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-
L-LYSINE
A,B2C140.74
LPLLEU-HYDROXYETHYLENE-LEUB,D,F,H1SMR0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.75
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.73
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.73
DNMN-METHYL-D-NORLEUCINEA1R9V0.73
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.77
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.77
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.74
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.71
NLH(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acidA,B,I3DCR0.74
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
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1E800.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I1EED0.71
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID
I2ER00.71
IMLN-METHYL-ISOLEUCINEC1CWM0.73
IKT3-(1-AMINOETHYL)NONANEDIOIC ACIDA1DAE0.75
MLZN-METHYL-LYSINEA,B,I,J2PXJ0.7
MLZN-METHYL-LYSINEA,B,E,F1XQH0.7
MLZN-METHYL-LYSINEA,B,C,D2G460.7
MLZN-METHYL-LYSINED2B2V0.7
MLZN-METHYL-LYSINEA,B3CBM0.7
MLZN-METHYL-LYSINEA,B,C,D2OT70.7
MLZN-METHYL-LYSINEA,B,E,F3F9Y0.7
MLZN-METHYL-LYSINEP1Q3L0.7
MLZN-METHYL-LYSINEA,B,E,F2BQZ0.7
MLZN-METHYL-LYSINEA2RHY0.7
MLZN-METHYL-LYSINEA,B2F690.7
MLZN-METHYL-LYSINEA2R5A0.7
MLZN-METHYL-LYSINEA,B3F700.7
MLZN-METHYL-LYSINEA,B,C2H2J0.7
MLZN-METHYL-LYSINEC,D2H6K0.7
MLZN-METHYL-LYSINEA3EPQ0.7
MLZN-METHYL-LYSINEA,B2QNU0.7
MLZN-METHYL-LYSINEA,B,C,D3HHL0.7
MLZN-METHYL-LYSINEA1IV80.7
MLZN-METHYL-LYSINEA1XER0.7
MLZN-METHYL-LYSINEB,D2H9N0.7
MLZN-METHYL-LYSINEL2R5M0.7
MLZN-METHYL-LYSINEA3E3X0.7
MLZN-METHYL-LYSINEA,B2VYT0.7
MLZN-METHYL-LYSINEA,B,K,L1O9S0.7
MLZN-METHYL-LYSINEA,B,C1P0Y0.7
MLZN-METHYL-LYSINEA,B3CBO0.7
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
ZAL3-cyclohexyl-D-alanineI1HBT0.79
CPV5-AMINO-6-CYCLOHEXYL-4-HYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVQ0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.82
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.83
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
NLK(2R,5S)-5-amino-2-butyl-4-oxononanoic acidA,B,I3DCK0.76
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1OEX0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B,I8HVP0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
A,B1GKT0.7
LOV5-AMINO-4-HYDROXY-2-ISOPROPYL-7-
METHYL-OCTANOIC ACID
E,I2ER70.7
LP66-piperidin-1-yl-L-norleucineA,B2W7Z0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.77
CHGCYCLOHEXYL-GLYCINEH,I4THN0.77
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.77
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.77
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.79
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.79
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide
A,B,C3DV10.7