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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00485460

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
MMON~5~-(DIAMINOMETHYLENE)-N~2~-METHYLORNITHINEA1EB10.71
1PI3-(1-CARBAMIMIDOYL-PIPERIDIN-3-
YL)-L-ALANINE
A,B1ZZZ0.7
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.7
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
VION5-(1-IMINO-3-BUTENYL)-L-ORNITHINEA,B1MMW0.7
MGG2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-
PENTANOIC ACID
A1CVQ0.8
GND2-AMINO-5-GUANIDINO-PENTANOIC ACIDA1NBK0.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.73
1691-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-
1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-
4-OXO-AZETIDINE-2-CARBOXYLIC ACID
A1RXP0.8
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.78
HARN-OMEGA-HYDROXY-L-ARGININEX2FBZ0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWW0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B3NOS0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWV0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWX0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B5NSE0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B2FC20.71
HARN-OMEGA-HYDROXY-L-ARGININEA1M7Z0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B,C1HQF0.71
HARN-OMEGA-HYDROXY-L-ARGININEA,B1LZX0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
SJ1N-(ISOBUTOXYCARBONYL)-D-SERYL-N-
((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-L-ALANINAMIDE
U1W100.81
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.73
DARD-ARGININEA,B2Q330.73
DARD-ARGININEA,B,E,F,G,H1MHW0.73
DARD-ARGININEA2JUE0.73
DARD-ARGININEH,I1A4W0.73
DARD-ARGININEA1BDK0.73
DARD-ARGININEA1CWZ0.73
DARD-ARGININEB1CFA0.73
DARD-ARGININEB,C3BV90.73
DARD-ARGININEA1CVQ0.73
DARD-ARGININEA1P520.73
DARD-ARGININEA,D1CZQ0.73
DARD-ARGININEA1CW80.73
DARD-ARGININEA,B,C,D3BOG0.73
DARD-ARGININEA1BFW0.73
DARD-ARGININEA1BG00.73
NMM(R)-2-AMINO-5-(3-METHYLGUANIDINO)BUTANOIC ACIDA,B,D,E2V850.74
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.71
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.74
AS1ARGININOSUCCINATEA,B,C,D1TJW0.73
AS1ARGININOSUCCINATED1DCN0.73
AS1ARGININOSUCCINATEA,B,C,D1K7W0.73
AS1ARGININOSUCCINATEA,B,C,D1J200.73
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.8
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.8
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1BB00.7
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINE11YYY0.7
3GA3-PIPERIDYL-N-GUANIDINO-L-ALANINEB,C1CA80.7
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBO0.71
AGM5-METHYL-ARGININEA,C,D,F1MRO0.71
AGM5-METHYL-ARGININEA,C,D,F1E6Y0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBM0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBN0.71
AGM5-METHYL-ARGININEA,B,C,D,E,F1HBU0.71
2MRN3, N4-DIMETHYLARGININEA,B,D,E2V870.73
2MRN3, N4-DIMETHYLARGININEA,B,D,F2V880.73
2MRN3, N4-DIMETHYLARGININEA1G4H0.73
2MRN3, N4-DIMETHYLARGININEA1G420.73
2MRN3, N4-DIMETHYLARGININEA1G5F0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.74
D20N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-
L-ORNITHINE
A,B2JAJ0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.81
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.81
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.7
DA2NG,NG-DIMETHYL-L-ARGININEA,C,P,R2VPG0.75
DA2NG,NG-DIMETHYL-L-ARGININEA,B7NSE0.75
DA2NG,NG-DIMETHYL-L-ARGININEA,B,D,E2V860.75
DA2NG,NG-DIMETHYL-L-ARGININED2B2U0.75
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.71
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA1GVG0.79
PCXDEOXYGUANIDINOPROCLAVAMINIC ACIDA,B1MC10.79
TS5GLUTATHIONYLSPERMIDINEA1I5G0.7
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.86
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
CMAN2-(CARBOXYETHYL)-L-ARGININEA,B1JGT0.78
3ARN-OMEGA-PROPYL-L-ARGININEA1QW60.76
3ARN-OMEGA-PROPYL-L-ARGININEA,B1QW40.76
3ARN-OMEGA-PROPYL-L-ARGININEA,B1MMV0.76
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1GNO0.73
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
B1A9M0.73
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1AXA0.73
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNM0.73
U0EN-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-
2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-
CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
A1GNN0.73
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
A1K1O0.8
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
H,I1K210.8
M3RMethyl phosphonated L-ArginineA3GNH0.7
HRGL-HOMOARGININEA,B,C2VDN0.72
HRGL-HOMOARGININEA3DIQ0.72
HRGL-HOMOARGININEA,B1DM70.72
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.71
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.71
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.71
SVCN-ACETYL-L-LEUCYL-N-[(1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-(HYDROXYMETHYL)BUTYL]-L-LEUCINAMIDE
A,B3BPM0.89
2NCN-{(2S)-2-[(N-acetyl-L-threonyl-
L-isoleucyl)amino]hexyl}-L-norleucyl-
L-glutaminyl-L-argininamide
A,B3BVA0.76
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74