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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03509443

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
INC2-(ACETYL-HYDROXY-AMINO)-4-METHYL-
PENTANOIC ACID METHYL ESTER
A7TLN0.78
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.73
ALYN(6)-ACETYLLYSINEA,B2B4D0.76
ALYN(6)-ACETYLLYSINEA,B2OD90.76
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.76
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.76
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.76
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.76
ALYN(6)-ACETYLLYSINEA,B2B5G0.76
ALYN(6)-ACETYLLYSINEA2GIV0.76
ALYN(6)-ACETYLLYSINEB2RNY0.76
ALYN(6)-ACETYLLYSINEA1JSP0.76
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.76
ALYN(6)-ACETYLLYSINEA,D3D4B0.76
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.76
ALYN(6)-ACETYLLYSINEA,B2R0Y0.76
ALYN(6)-ACETYLLYSINEA3CZ70.76
ALYN(6)-ACETYLLYSINEA1JM40.76
ALYN(6)-ACETYLLYSINEA,B2H4H0.76
ALYN(6)-ACETYLLYSINEA,B2J6V0.76
ALYN(6)-ACETYLLYSINEA,B2R100.76
ALYN(6)-ACETYLLYSINEA,B1YC50.76
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.76
ALYN(6)-ACETYLLYSINEA,B2H2G0.76
ALYN(6)-ACETYLLYSINEA,D2H4F0.76
ALYN(6)-ACETYLLYSINEA2OU20.76
ALYN(6)-ACETYLLYSINEA,B1S5P0.76
ALYN(6)-ACETYLLYSINEB2RNW0.76
ALYN(6)-ACETYLLYSINEA3D350.76
ALYN(6)-ACETYLLYSINEA,B2OD20.76
ALYN(6)-ACETYLLYSINEA2ZFN0.76
ALYN(6)-ACETYLLYSINEC,D2C1J0.76
ALYN(6)-ACETYLLYSINEA,B2QQG0.76
ALYN(6)-ACETYLLYSINEB2RNX0.76
ALYN(6)-ACETYLLYSINEA,B1MA30.76
ALYN(6)-ACETYLLYSINEA,B2H2H0.76
ALYN(6)-ACETYLLYSINEA2I2Z0.76
ALYN(6)-ACETYLLYSINEA,B2OD70.76
ALYN(6)-ACETYLLYSINEP1E6I0.76
ALYN(6)-ACETYLLYSINEA,B1SZC0.76
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.76
ALYN(6)-ACETYLLYSINEA,B2H2D0.76
ALYN(6)-ACETYLLYSINEA,B1Q1A0.76
ALYN(6)-ACETYLLYSINEA,B1SZD0.76
ALYN(6)-ACETYLLYSINEQ,R2E3K0.76
ALYN(6)-ACETYLLYSINEA2OZU0.76
ALYN(6)-ACETYLLYSINEA,B2QQF0.76
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.76
CYKN-hexanoyl-L-homocysteineA3DHC0.74
PYHN~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-
2H-PYRROL-2-YL]CARBONYL}-L-LYSINE
A2ZCE0.7
NSKN-SUCCINYL LYSINEA2P8B0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.77
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.77
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.78
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.73
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
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
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.72
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.71
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
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CAY0.72
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CBA0.72
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.75
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.71
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE
A1MPL0.71
IMLN-METHYL-ISOLEUCINEC1CWM0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.8
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.72
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.73
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.74
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.81
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.78
140N-PALMITOYLGLYCINEA,B1JPZ0.74
140N-PALMITOYLGLYCINEA,B1ZOA0.74
140N-PALMITOYLGLYCINEA,B3CBD0.74
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.71
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.71
OHNN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONEE,F,G,H2UV00.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.79
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B,C,D1L3L0.75
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B2Q0O0.75
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74