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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03648312

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,B1K090.76
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
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.72
NSKN-SUCCINYL LYSINEA2P8B0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
140N-PALMITOYLGLYCINEA,B1JPZ0.71
140N-PALMITOYLGLYCINEA,B1ZOA0.71
140N-PALMITOYLGLYCINEA,B3CBD0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.73
VION5-(1-IMINO-3-BUTENYL)-L-ORNITHINEA,B1MMW0.7
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.76
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.79
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.75
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.73
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.75
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.74
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
GTTGLUTATHIONEA,B11GS0.73
GTTGLUTATHIONEA1GSN0.73
GTTGLUTATHIONEA,C1K0B0.73
GTTGLUTATHIONEA,B,C1K0D0.73
GTTGLUTATHIONEA,B6GSY0.73
GTTGLUTATHIONEA,B19GS0.73
GTTGLUTATHIONEA1FLJ0.73
GTTGLUTATHIONEA,B3DD30.73
GTTGLUTATHIONEA2PVQ0.73
GTTGLUTATHIONEA1DNC0.73
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.73
GTTGLUTATHIONEA,B,C,D3CSI0.73
GTTGLUTATHIONEA,B6GSS0.73
GTTGLUTATHIONEA2R4V0.73
GTTGLUTATHIONEA,B,C,D3FZ50.73
GTTGLUTATHIONEA,B3GSS0.73
GTTGLUTATHIONEA,B2F8F0.73
GTTGLUTATHIONEA,B1GSY0.73
GTTGLUTATHIONEA1PMT0.73
GTTGLUTATHIONEA,B1GSE0.73
GTTGLUTATHIONEA,B,C,D1F2E0.73
GTTGLUTATHIONEA1UW30.73
GTTGLUTATHIONEA,B1SS40.73
GTTGLUTATHIONEA,B5GSS0.73
GTTGLUTATHIONEA1GRX0.73
GTTGLUTATHIONEA,B7GSS0.73
GTTGLUTATHIONEA1UA50.73
GTTGLUTATHIONEA,B,C8GSS0.73
GTTGLUTATHIONEA,B1LJR0.73
GTTGLUTATHIONEA,B,C,D1OYJ0.73
GTTGLUTATHIONEA,B,C,D2E7P0.73
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.73
GTTGLUTATHIONEA,B,C,D2WEM0.73
GTTGLUTATHIONEA,B1K0A0.73
GTTGLUTATHIONEA,B3EE20.73
GTTGLUTATHIONEA3G5S0.73
GTTGLUTATHIONEA1HNL0.73
GTTGLUTATHIONEA,B,C,D1K0C0.73
GTTGLUTATHIONEA,B6GST0.73
GTTGLUTATHIONEA,B1TU70.73
GTTGLUTATHIONEA2H8A0.73
GTTGLUTATHIONEA,B,C,D2PMT0.73
GTTGLUTATHIONEA2UUH0.73
GTTGLUTATHIONEA,B1ZL90.73
GTTGLUTATHIONEA,B1QH50.73
GTTGLUTATHIONE1,21PD20.73
GTTGLUTATHIONEA,B3CSH0.73
GTTGLUTATHIONEA,C1JZR0.73
GTTGLUTATHIONEA2NTO0.73
GTTGLUTATHIONEA,B1KBN0.73
GTTGLUTATHIONEA3GRX0.73
GTTGLUTATHIONEA1B4Q0.73
GTTGLUTATHIONEA,B1PKW0.73
GTTGLUTATHIONEA1K0N0.73
GTTGLUTATHIONEA,B,C,D2DSA0.73
GTTGLUTATHIONEA,B2HNL0.73
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.73
GTTGLUTATHIONEA1GSA0.73
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
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.76
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA1GVG0.75
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA,B1MC10.75
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.82
CIRCITRULLINEA,B,C,D1J210.71
CIRCITRULLINEB1KOD0.71
CIRCITRULLINEA,B,C3B3I0.71
CIRCITRULLINEC3DTX0.71
CIRCITRULLINEA2C6Z0.71
CIRCITRULLINEA,C,E,F2W650.71
CIRCITRULLINEA,B2JAI0.71
CIRCITRULLINEP3FT20.71
CIRCITRULLINEA,B,C,D1J1Z0.71
CIRCITRULLINEA,B1LXY0.71
CIRCITRULLINEF,H1OL10.71
CIRCITRULLINEA1KP30.71
CIRCITRULLINEA2NZ20.71
CIRCITRULLINEA1H700.71
CIRCITRULLINEA1K970.71
CIRCITRULLINEC3B6S0.71
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE
U1W100.71
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.7
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.7
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
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.75
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.75
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
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.74
2MRN3, N4-DIMETHYLARGININEA,B,D,E2V870.75
2MRN3, N4-DIMETHYLARGININEA,B,D,F2V880.75
2MRN3, N4-DIMETHYLARGININEA1G4H0.75
2MRN3, N4-DIMETHYLARGININEA1G420.75
2MRN3, N4-DIMETHYLARGININEA1G5F0.75
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.8
MMON~5~-(DIAMINOMETHYLENE)-N~2~-METHYLORNITHINEA1EB10.83
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.73
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.71
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.78
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.79
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.72
MEQN5-METHYLGLUTAMINEA,B1NV80.7
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.71
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.71
MGG2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-
PENTANOIC ACID
A1CVQ0.74
TS5GLUTATHIONYLSPERMIDINEA1I5G0.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
3ARN-OMEGA-PROPYL-L-ARGININEA1QW60.71
3ARN-OMEGA-PROPYL-L-ARGININEA,B1QW40.71
3ARN-OMEGA-PROPYL-L-ARGININEA,B1MMV0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.78
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
AYAN-ACETYLALANINEA1D0W0.71
AYAN-ACETYLALANINEA1AH40.71
AYAN-ACETYLALANINEA,B1VBP0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.71
AYAN-ACETYLALANINEA,B,C,D1OUW0.71
AYAN-ACETYLALANINEA1AH30.71
AYAN-ACETYLALANINEA1EKO0.71
AYAN-ACETYLALANINEB,D,F,H2V4I0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.71
AYAN-ACETYLALANINEA,B,C,D1J4U0.71
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.71
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.73
GSHGLUTATHIONEA1EEM0.73
GSHGLUTATHIONEA,B1USB0.73
GSHGLUTATHIONEA3FZA0.73
GSHGLUTATHIONEA2IMF0.73
GSHGLUTATHIONEA,B1PX60.73
GSHGLUTATHIONEA,B1MD40.73
GSHGLUTATHIONEA2CZ20.73
GSHGLUTATHIONEA3FZ90.73
GSHGLUTATHIONEA,B,C,D1R4W0.73
GSHGLUTATHIONEA1ZHP0.73
GSHGLUTATHIONEA,B3E730.73
GSHGLUTATHIONEA1VF10.73
GSHGLUTATHIONEA3CRT0.73
GSHGLUTATHIONEA,B,C,D2VCX0.73
GSHGLUTATHIONEA,B,C,D1XW60.73
GSHGLUTATHIONEA3CRU0.73
GSHGLUTATHIONEA,B1B480.73
GSHGLUTATHIONEA2ZK20.73
GSHGLUTATHIONEA,B,C,D1IYH0.73
GSHGLUTATHIONEA,B,C,D1Q8M0.73
GSHGLUTATHIONEA,B,C,D2PBJ0.73
GSHGLUTATHIONEA,B,C,D2VCQ0.73
GSHGLUTATHIONEA1GRA0.73
GSHGLUTATHIONEA,B1QGJ0.73
GSHGLUTATHIONEA2HGS0.73
GSHGLUTATHIONEA,B,C,D2VD10.73
GSHGLUTATHIONEA1ZHM0.73
GSHGLUTATHIONEA,B,C,D2VCZ0.73
GSHGLUTATHIONEC1KCG0.73
GSHGLUTATHIONEA,B1MD30.73
GSHGLUTATHIONEA,B2IO90.73
GSHGLUTATHIONEA,B2JL40.73
GSHGLUTATHIONEA3DK80.73
GSHGLUTATHIONEA3DK40.73
GSHGLUTATHIONEA,B,D2VCW0.73
GSHGLUTATHIONEA,B1XW50.73
GSHGLUTATHIONEA,B3FHS0.73
GSHGLUTATHIONEA,B1Y1A0.73
GSHGLUTATHIONEA1GRE0.73
GSHGLUTATHIONEA,B2HT90.73
GSHGLUTATHIONEA,B1DUG0.73
GSHGLUTATHIONEA,B,C,D2VD00.73
GSHGLUTATHIONEA,B1TYP0.73
GSHGLUTATHIONEA2FLS0.73
GSHGLUTATHIONEA,B1OE80.73
GSHGLUTATHIONEA,B1PX70.73
GSHGLUTATHIONEA3C1S0.73
GSHGLUTATHIONEA,B1F3A0.73
GSHGLUTATHIONEA1FW10.73
GSHGLUTATHIONEA,B2IMI0.73
GSHGLUTATHIONEA,B1LBK0.73
GSHGLUTATHIONEA,B2HQM0.73
GSHGLUTATHIONEA,B1TDI0.73
GSHGLUTATHIONEA,B,C,D1V400.73
GSHGLUTATHIONEA,B,C,D1IYI0.73
GSHGLUTATHIONEA3D0Z0.73
GSHGLUTATHIONEA,B1ZGN0.73
GSHGLUTATHIONEA,B,C,D2CVD0.73
GSHGLUTATHIONEA,B3C8E0.73
GSHGLUTATHIONEA,B,C1YJ60.73
GSHGLUTATHIONEA2IMD0.73
GSHGLUTATHIONEA2IME0.73
GSHGLUTATHIONEA3BHJ0.73
GSHGLUTATHIONEA,B1OE70.73
CMAN2-(CARBOXYETHYL)-L-ARGININEA,B1JGT0.72