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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00475432

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,Q1EFR0.72
CPI6-CARBOXYPIPERIDINEB1EOL0.72
CPI6-CARBOXYPIPERIDINEB1EOJ0.72
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.72
CPI6-CARBOXYPIPERIDINEA,B2ITK0.72
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
MLEN-METHYLLEUCINEA,D2J9A0.75
MLEN-METHYLLEUCINEC1IKF0.75
MLEN-METHYLLEUCINEA,M,N2Z6W0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.75
MLEN-METHYLLEUCINED,E,F1XQ70.75
MLEN-METHYLLEUCINEC1CWA0.75
MLEN-METHYLLEUCINEC1CWF0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
MLEN-METHYLLEUCINEB3CYS0.75
MLEN-METHYLLEUCINEC1CWH0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.75
MLEN-METHYLLEUCINEC1CYN0.75
MLEN-METHYLLEUCINEA1LV90.75
MLEN-METHYLLEUCINEC,D2OJU0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
MLEN-METHYLLEUCINEA1IKM0.75
MLEN-METHYLLEUCINEC1CWK0.75
MLEN-METHYLLEUCINEA,B2HG80.75
MLEN-METHYLLEUCINEC1CWB0.75
MLEN-METHYLLEUCINEC1CWJ0.75
MLEN-METHYLLEUCINEA1CYB0.75
MLEN-METHYLLEUCINED1QNG0.75
MLEN-METHYLLEUCINEB1MIK0.75
MLEN-METHYLLEUCINEA1CSA0.75
MLEN-METHYLLEUCINEC1CWL0.75
MLEN-METHYLLEUCINEA1CYA0.75
MLEN-METHYLLEUCINEA,B,D1MF80.75
MLEN-METHYLLEUCINEC1BCK0.75
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.75
MLEN-METHYLLEUCINEC1CWC0.75
MLEN-METHYLLEUCINEC1CWI0.75
MLEN-METHYLLEUCINEC,D1QNH0.75
MLEN-METHYLLEUCINEB,D,F,H2RMC0.75
MLEN-METHYLLEUCINEC1CWM0.75
MLEN-METHYLLEUCINET,U,V2POY0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
MLEN-METHYLLEUCINEC1CWO0.75
MLEN-METHYLLEUCINEA1IKL0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.72
1PI3-(1-CARBAMIMIDOYL-PIPERIDIN-3-
YL)-L-ALANINE
A,B1ZZZ0.72
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.78
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
A1K1O0.72
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
H,I1K210.72
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.78
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1BB00.72
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINE11YYY0.72
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1CA80.72
BG55-HYDROXYAMINO-3-METHYL-PYRROLIDINE-
2-CARBOXYLIC ACID
A1TV20.75
BG45-(HYDROXY-METHYL-AMINO)-3-METHYL-
PYRROLIDINE-2-CARBOXYLIC ACID
A1TV30.75
NSKN-SUCCINYL LYSINEA2P8B0.7
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.72
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.7
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.77
APP1-ACETYL-2-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.72
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA1GVG0.71
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA,B1MC10.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.78
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.72
IMLN-METHYL-ISOLEUCINEC1CWM0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.72
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.74
CIRCITRULLINEA,B,C,D1J210.73
CIRCITRULLINEB1KOD0.73
CIRCITRULLINEA,B,C3B3I0.73
CIRCITRULLINEC3DTX0.73
CIRCITRULLINEA2C6Z0.73
CIRCITRULLINEA,C,E,F2W650.73
CIRCITRULLINEA,B2JAI0.73
CIRCITRULLINEP3FT20.73
CIRCITRULLINEA,B,C,D1J1Z0.73
CIRCITRULLINEA,B1LXY0.73
CIRCITRULLINEF,H1OL10.73
CIRCITRULLINEA1KP30.73
CIRCITRULLINEA2NZ20.73
CIRCITRULLINEA1H700.73
CIRCITRULLINEA1K970.73
CIRCITRULLINEC3B6S0.73
1691-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-
1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-
4-OXO-AZETIDINE-2-CARBOXYLIC ACID
A1RXP0.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.74
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.8
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.76
DA2NG,NG-DIMETHYL-L-ARGININEA,C,P,R2VPG0.7
DA2NG,NG-DIMETHYL-L-ARGININEA,B7NSE0.7
DA2NG,NG-DIMETHYL-L-ARGININEA,B,D,E2V860.7
DA2NG,NG-DIMETHYL-L-ARGININED2B2U0.7
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.71
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.7
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.75
LP66-piperidin-1-yl-L-norleucineA,B2W7Z0.73
ALYN(6)-ACETYLLYSINEA,B2B4D0.74
ALYN(6)-ACETYLLYSINEA,B2OD90.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.74
ALYN(6)-ACETYLLYSINEA,B2B5G0.74
ALYN(6)-ACETYLLYSINEA2GIV0.74
ALYN(6)-ACETYLLYSINEB2RNY0.74
ALYN(6)-ACETYLLYSINEA1JSP0.74
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.74
ALYN(6)-ACETYLLYSINEA,D3D4B0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.74
ALYN(6)-ACETYLLYSINEA,B2R0Y0.74
ALYN(6)-ACETYLLYSINEA3CZ70.74
ALYN(6)-ACETYLLYSINEA1JM40.74
ALYN(6)-ACETYLLYSINEA,B2H4H0.74
ALYN(6)-ACETYLLYSINEA,B2J6V0.74
ALYN(6)-ACETYLLYSINEA,B2R100.74
ALYN(6)-ACETYLLYSINEA,B1YC50.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.74
ALYN(6)-ACETYLLYSINEA,B2H2G0.74
ALYN(6)-ACETYLLYSINEA,D2H4F0.74
ALYN(6)-ACETYLLYSINEA2OU20.74
ALYN(6)-ACETYLLYSINEA,B1S5P0.74
ALYN(6)-ACETYLLYSINEB2RNW0.74
ALYN(6)-ACETYLLYSINEA3D350.74
ALYN(6)-ACETYLLYSINEA,B2OD20.74
ALYN(6)-ACETYLLYSINEA2ZFN0.74
ALYN(6)-ACETYLLYSINEC,D2C1J0.74
ALYN(6)-ACETYLLYSINEA,B2QQG0.74
ALYN(6)-ACETYLLYSINEB2RNX0.74
ALYN(6)-ACETYLLYSINEA,B1MA30.74
ALYN(6)-ACETYLLYSINEA,B2H2H0.74
ALYN(6)-ACETYLLYSINEA2I2Z0.74
ALYN(6)-ACETYLLYSINEA,B2OD70.74
ALYN(6)-ACETYLLYSINEP1E6I0.74
ALYN(6)-ACETYLLYSINEA,B1SZC0.74
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.74
ALYN(6)-ACETYLLYSINEA,B2H2D0.74
ALYN(6)-ACETYLLYSINEA,B1Q1A0.74
ALYN(6)-ACETYLLYSINEA,B1SZD0.74
ALYN(6)-ACETYLLYSINEQ,R2E3K0.74
ALYN(6)-ACETYLLYSINEA2OZU0.74
ALYN(6)-ACETYLLYSINEA,B2QQF0.74
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.74
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.71