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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02028369

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BG45-(HYDROXY-METHYL-AMINO)-3-METHYL-
PYRROLIDINE-2-CARBOXYLIC ACID
A1TV30.7
SSC(2S,5S)-5-CARBOXYMETHYLPROLINEA,B,C,D1Q190.82
BG55-HYDROXYAMINO-3-METHYL-PYRROLIDINE-
2-CARBOXYLIC ACID
A1TV20.72
1PI3-(1-CARBAMIMIDOYL-PIPERIDIN-3-
YL)-L-ALANINE
A,B1ZZZ0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.74
LY5(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-
4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-
3-carboxylic acid
A,B,C,D2QS40.74
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.7
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1BB00.72
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINE11YYY0.72
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1CA80.72
CYJ(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-
4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-
L-LYSINE
A,B2C140.73
POMCIS-5-METHYL-4-OXOPROLINEA,B1A7Z0.75
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.75
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.72
4FB(4S)-4-FLUORO-L-PROLINEA2Q6P0.73
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.76
CPI6-CARBOXYPIPERIDINEB1EOL0.76
CPI6-CARBOXYPIPERIDINEB1EOJ0.76
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
CPI6-CARBOXYPIPERIDINEA,B2ITK0.76
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.76
ZAL3-cyclohexyl-D-alanineI1HBT0.71
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDB,C3BV90.87
OICOCTAHYDROINDOLE-2-CARBOXYLIC ACIDA1BDK0.87
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.71
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.82
DPRD-PROLINEP1MCB0.75
DPRD-PROLINEA,B,C,H,K,L2R5B0.75
DPRD-PROLINEA2KDQ0.75
DPRD-PROLINEP1MCS0.75
DPRD-PROLINEA,B2AXI0.75
DPRD-PROLINEA1JY90.75
DPRD-PROLINEA2JUE0.75
DPRD-PROLINEP1MCK0.75
DPRD-PROLINEP1MCR0.75
DPRD-PROLINEA2D550.75
DPRD-PROLINEA1T8J0.75
DPRD-PROLINEA,B2EJ60.75
DPRD-PROLINEP1MCE0.75
DPRD-PROLINEP1MCI0.75
DPRD-PROLINEA,B1SNE0.75
DPRD-PROLINEA,B,C1QFI0.75
DPRD-PROLINEA,P1MCD0.75
DPRD-PROLINEA1ICL0.75
DPRD-PROLINEP1MCQ0.75
DPRD-PROLINEG,M,P,S2I5Y0.75
DPRD-PROLINEA,B,C,D3BOG0.75
DPRD-PROLINEA,L1ZEA0.75
DPRD-PROLINEA,B173D0.75
DPRD-PROLINEA,P1MCJ0.75
DPRD-PROLINEA,B,C1A7Y0.75
DPRD-PROLINEA1IC90.75
DPRD-PROLINEA,B1JY60.75
DPRD-PROLINEA209D0.75
DPRD-PROLINEA1BFW0.75
DPRD-PROLINEA,B1O6I0.75
DPRD-PROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.75
DPRD-PROLINEA,B,C,D2R3C0.75
DPRD-PROLINEA,B,C,D1I3W0.75
DPRD-PROLINEA316D0.75
DPRD-PROLINEA,B,C,D1SN90.75
DPRD-PROLINEA,B,C,H,K,L2R5D0.75
DPRD-PROLINEA,B2Q330.75
DPRD-PROLINEG,M,P,S2I600.75
DPRD-PROLINEA,B1JY40.75
DPRD-PROLINEP1MCF0.75
DPRD-PROLINEA,B,C,D,E,F1UNM0.75
DPRD-PROLINEA1ICO0.75
DPRD-PROLINEA,B1XOF0.75
DPRD-PROLINEP1MCC0.75
DPRD-PROLINEA,B,C,D1SNA0.75
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.72
CHGCYCLOHEXYL-GLYCINEH,I4THN0.72
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.72
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.72
RPH6-HYDROXO-OCTAHYDRO-INDOLE-2-CARBALDEHYDEH,I1A2C0.72