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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03758019

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPUMIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-
DIAMINONONANIC ACID
A1DAK0.72
MLYN-DIMETHYL-LYSINEB2G9A0.7
MLYN-DIMETHYL-LYSINEB,D2O9K0.7
MLYN-DIMETHYL-LYSINES,V1I840.7
MLYN-DIMETHYL-LYSINEA,B2VD80.7
MLYN-DIMETHYL-LYSINEA,B1YYV0.7
MLYN-DIMETHYL-LYSINEA2R8D0.7
MLYN-DIMETHYL-LYSINEA2RHU0.7
MLYN-DIMETHYL-LYSINEA,B2P4P0.7
MLYN-DIMETHYL-LYSINEC,D2H6N0.7
MLYN-DIMETHYL-LYSINEA,B,P3B950.7
MLYN-DIMETHYL-LYSINEA,B1Z1Y0.7
MLYN-DIMETHYL-LYSINEA,B2QHQ0.7
MLYN-DIMETHYL-LYSINEA2P6V0.7
MLYN-DIMETHYL-LYSINEA,B,D,F2V880.7
MLYN-DIMETHYL-LYSINEC,D2G990.7
MLYN-DIMETHYL-LYSINEA,B2RHI0.7
MLYN-DIMETHYL-LYSINEA,B,C,P2FSA0.7
MLYN-DIMETHYL-LYSINEB,D2RJF0.7
MLYN-DIMETHYL-LYSINEA1VK10.7
MLYN-DIMETHYL-LYSINEA2RHX0.7
MLYN-DIMETHYL-LYSINEA1IV80.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1G0.7
MLYN-DIMETHYL-LYSINEA,B,C1XKP0.7
MLYN-DIMETHYL-LYSINEA,B,C2O3F0.7
MLYN-DIMETHYL-LYSINEA2OAI0.7
MLYN-DIMETHYL-LYSINEA2ZPM0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,S1O190.7
MLYN-DIMETHYL-LYSINEA,D,G,J,P1O1C0.7
MLYN-DIMETHYL-LYSINEA3EPQ0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O180.7
MLYN-DIMETHYL-LYSINEA1LLN0.7
MLYN-DIMETHYL-LYSINEA,D,G,P1M8Q0.7
MLYN-DIMETHYL-LYSINEA,B2G9N0.7
MLYN-DIMETHYL-LYSINEA2R580.7
MLYN-DIMETHYL-LYSINEA,B,C,D,E3HSA0.7
MLYN-DIMETHYL-LYSINEA2ETD0.7
MLYN-DIMETHYL-LYSINEB3C0F0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1MVW0.7
MLYN-DIMETHYL-LYSINEA,B2MYS0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1E0.7
MLYN-DIMETHYL-LYSINEA,B2PQW0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1D0.7
MLYN-DIMETHYL-LYSINEA,B,C,D,E,F,
G,H
3F9X0.7
MLYN-DIMETHYL-LYSINEA,B,C,D2HO30.7
MLYN-DIMETHYL-LYSINEA,B,F,G2Q8D0.7
MLYN-DIMETHYL-LYSINEA,B,C,D3C8G0.7
MLYN-DIMETHYL-LYSINEA,C2W5Z0.7
MLYN-DIMETHYL-LYSINEA,B,C3EGL0.7
MLYN-DIMETHYL-LYSINEA,B2ETV0.7
MLYN-DIMETHYL-LYSINEA,P2RI70.7
MLYN-DIMETHYL-LYSINEA,B1R1G0.7
MLYN-DIMETHYL-LYSINEA,D,G,J1O1F0.7
MLYN-DIMETHYL-LYSINEA,B,C,D1XL30.7
MLYN-DIMETHYL-LYSINEA132L0.7
MLYN-DIMETHYL-LYSINEA3E3X0.7
MLYN-DIMETHYL-LYSINEA,B2VGX0.7
MLYN-DIMETHYL-LYSINEA,D,G,J1O1B0.7
MLYN-DIMETHYL-LYSINEA2FTZ0.7
MLYN-DIMETHYL-LYSINEA,B,C2VIX0.7
MLYN-DIMETHYL-LYSINEB1GUW0.7
MLYN-DIMETHYL-LYSINEA,B2I6G0.7
MLYN-DIMETHYL-LYSINEA,B2Q7X0.7
MLYN-DIMETHYL-LYSINEA,C,P,Q2RJE0.7
MLYN-DIMETHYL-LYSINEA,B,P,Q2RFI0.7
MLYN-DIMETHYL-LYSINEA,C,P,R2VPE0.7
MLYN-DIMETHYL-LYSINEA,B,C,D3HHL0.7
MLYN-DIMETHYL-LYSINEP2CNX0.7
MLYN-DIMETHYL-LYSINEA2VGY0.7
MLYN-DIMETHYL-LYSINEA,B2VJ40.7
MLYN-DIMETHYL-LYSINEA2FCL0.7
MLYN-DIMETHYL-LYSINE2,3,48KME0.7
MLYN-DIMETHYL-LYSINEA,B,C,D2F4I0.7
MLYN-DIMETHYL-LYSINEA,B2PX80.7
MLYN-DIMETHYL-LYSINEA,B2VD90.7
MLYN-DIMETHYL-LYSINEA,B2QJV0.7
MLYN-DIMETHYL-LYSINEA,C,P,R2VPG0.7
MLYN-DIMETHYL-LYSINEA,B3BED0.7
MLYN-DIMETHYL-LYSINEA3GS90.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1A0.7
MLYN-DIMETHYL-LYSINEA,B2IG00.7
MLYN-DIMETHYL-LYSINEP1KNA0.7
MLYN-DIMETHYL-LYSINEB2H130.7
MLYN-DIMETHYL-LYSINEA,B,C,D2OX00.7
MLZN-METHYL-LYSINEA,B,I,J2PXJ0.71
MLZN-METHYL-LYSINEA,B,E,F1XQH0.71
MLZN-METHYL-LYSINEA,B,C,D2G460.71
MLZN-METHYL-LYSINED2B2V0.71
MLZN-METHYL-LYSINEA,B3CBM0.71
MLZN-METHYL-LYSINEA,B,C,D2OT70.71
MLZN-METHYL-LYSINEA,B,E,F3F9Y0.71
MLZN-METHYL-LYSINEP1Q3L0.71
MLZN-METHYL-LYSINEA,B,E,F2BQZ0.71
MLZN-METHYL-LYSINEA2RHY0.71
MLZN-METHYL-LYSINEA,B2F690.71
MLZN-METHYL-LYSINEA2R5A0.71
MLZN-METHYL-LYSINEA,B3F700.71
MLZN-METHYL-LYSINEA,B,C2H2J0.71
MLZN-METHYL-LYSINEC,D2H6K0.71
MLZN-METHYL-LYSINEA3EPQ0.71
MLZN-METHYL-LYSINEA,B2QNU0.71
MLZN-METHYL-LYSINEA,B,C,D3HHL0.71
MLZN-METHYL-LYSINEA1IV80.71
MLZN-METHYL-LYSINEA1XER0.71
MLZN-METHYL-LYSINEB,D2H9N0.71
MLZN-METHYL-LYSINEL2R5M0.71
MLZN-METHYL-LYSINEA3E3X0.71
MLZN-METHYL-LYSINEA,B2VYT0.71
MLZN-METHYL-LYSINEA,B,K,L1O9S0.71
MLZN-METHYL-LYSINEA,B,C1P0Y0.71
MLZN-METHYL-LYSINEA,B3CBO0.71
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.71
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.79
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.79
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.79
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.79
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CAY0.73
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CBA0.73
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.78
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.78
DOA12-AMINO-DODECANOIC ACIDA2DCX0.78
DOA12-AMINO-DODECANOIC ACIDB1EOL0.78
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.73
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.73
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.72
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.74
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.74
M3LN-TRIMETHYLLYSINEA1YCC0.7
M3LN-TRIMETHYLLYSINEA1FHB0.7
M3LN-TRIMETHYLLYSINEA1CIH0.7
M3LN-TRIMETHYLLYSINET3FDT0.7
M3LN-TRIMETHYLLYSINEB1PDQ0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V870.7
M3LN-TRIMETHYLLYSINEA,B,C,D,E2V830.7
M3LN-TRIMETHYLLYSINEA2YCC0.7
M3LN-TRIMETHYLLYSINEA1CTY0.7
M3LN-TRIMETHYLLYSINEA1YEA0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2PNX0.7
M3LN-TRIMETHYLLYSINEB,D,F,H3DM10.7
M3LN-TRIMETHYLLYSINEA1CHI0.7
M3LN-TRIMETHYLLYSINEB2H9P0.7
M3LN-TRIMETHYLLYSINEA,P2JMJ0.7
M3LN-TRIMETHYLLYSINEA,B,I,J2P5B0.7
M3LN-TRIMETHYLLYSINEP1KNE0.7
M3LN-TRIMETHYLLYSINEC,D2GFA0.7
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8C0.7
M3LN-TRIMETHYLLYSINEA1CSW0.7
M3LN-TRIMETHYLLYSINED2B2U0.7
M3LN-TRIMETHYLLYSINEA1CHH0.7
M3LN-TRIMETHYLLYSINEA,B,C2VNF0.7
M3LN-TRIMETHYLLYSINEA1IRV0.7
M3LN-TRIMETHYLLYSINEA1CIE0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2B2T0.7
M3LN-TRIMETHYLLYSINEC,D2H6Q0.7
M3LN-TRIMETHYLLYSINEA1CHJ0.7
M3LN-TRIMETHYLLYSINEA1RAQ0.7
M3LN-TRIMETHYLLYSINEA,P2K170.7
M3LN-TRIMETHYLLYSINEA1YEB0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V850.7
M3LN-TRIMETHYLLYSINEA1YIC0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V890.7
M3LN-TRIMETHYLLYSINEA1CRG0.7
M3LN-TRIMETHYLLYSINEA1CIF0.7
M3LN-TRIMETHYLLYSINEA1CSU0.7
M3LN-TRIMETHYLLYSINEA,B1UP50.7
M3LN-TRIMETHYLLYSINEA1PRW0.7
M3LN-TRIMETHYLLYSINEA,B3DB30.7
M3LN-TRIMETHYLLYSINEA,B3GL60.7
M3LN-TRIMETHYLLYSINEA1RAP0.7
M3LN-TRIMETHYLLYSINEA1CSV0.7
M3LN-TRIMETHYLLYSINEA1CRJ0.7
M3LN-TRIMETHYLLYSINEA1YFC0.7
M3LN-TRIMETHYLLYSINEA,B,C2H230.7
M3LN-TRIMETHYLLYSINEA,B,C,D2OQ60.7
M3LN-TRIMETHYLLYSINEA,B,C,P2F6J0.7
M3LN-TRIMETHYLLYSINEA,B2KGI0.7
M3LN-TRIMETHYLLYSINEA,B1PFB0.7
M3LN-TRIMETHYLLYSINEA1CTZ0.7
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CX50.7
M3LN-TRIMETHYLLYSINEA,B,P2YYR0.7
M3LN-TRIMETHYLLYSINEC,D2QQS0.7
M3LN-TRIMETHYLLYSINEB3GV60.7
M3LN-TRIMETHYLLYSINEA,B,C2W9K0.7
M3LN-TRIMETHYLLYSINEA1CCR0.7
M3LN-TRIMETHYLLYSINEA,B2G6Q0.7
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CXH0.7
M3LN-TRIMETHYLLYSINEA1CRI0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2OS20.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V860.7
M3LN-TRIMETHYLLYSINEA1CRH0.7
M3LN-TRIMETHYLLYSINEA1IRW0.7
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8E0.7
M3LN-TRIMETHYLLYSINEA,B2FUU0.7
M3LN-TRIMETHYLLYSINEA,B2QIC0.7
M3LN-TRIMETHYLLYSINEA1CIG0.7
M3LN-TRIMETHYLLYSINEA1CSX0.7
M3LN-TRIMETHYLLYSINED2B2W0.7
M3LN-TRIMETHYLLYSINEA1YTC0.7
M3LN-TRIMETHYLLYSINEA,P3G7L0.7
M3LN-TRIMETHYLLYSINEC,D,E,N,O,P,W1KYO0.7
M3LN-TRIMETHYLLYSINEA,B,C,D3C6W0.7
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.74
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.72
ALYN(6)-ACETYLLYSINEA,B2B4D0.75
ALYN(6)-ACETYLLYSINEA,B2OD90.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.75
ALYN(6)-ACETYLLYSINEA,B2B5G0.75
ALYN(6)-ACETYLLYSINEA2GIV0.75
ALYN(6)-ACETYLLYSINEB2RNY0.75
ALYN(6)-ACETYLLYSINEA1JSP0.75
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.75
ALYN(6)-ACETYLLYSINEA,D3D4B0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.75
ALYN(6)-ACETYLLYSINEA,B2R0Y0.75
ALYN(6)-ACETYLLYSINEA3CZ70.75
ALYN(6)-ACETYLLYSINEA1JM40.75
ALYN(6)-ACETYLLYSINEA,B2H4H0.75
ALYN(6)-ACETYLLYSINEA,B2J6V0.75
ALYN(6)-ACETYLLYSINEA,B2R100.75
ALYN(6)-ACETYLLYSINEA,B1YC50.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.75
ALYN(6)-ACETYLLYSINEA,B2H2G0.75
ALYN(6)-ACETYLLYSINEA,D2H4F0.75
ALYN(6)-ACETYLLYSINEA2OU20.75
ALYN(6)-ACETYLLYSINEA,B1S5P0.75
ALYN(6)-ACETYLLYSINEB2RNW0.75
ALYN(6)-ACETYLLYSINEA3D350.75
ALYN(6)-ACETYLLYSINEA,B2OD20.75
ALYN(6)-ACETYLLYSINEA2ZFN0.75
ALYN(6)-ACETYLLYSINEC,D2C1J0.75
ALYN(6)-ACETYLLYSINEA,B2QQG0.75
ALYN(6)-ACETYLLYSINEB2RNX0.75
ALYN(6)-ACETYLLYSINEA,B1MA30.75
ALYN(6)-ACETYLLYSINEA,B2H2H0.75
ALYN(6)-ACETYLLYSINEA2I2Z0.75
ALYN(6)-ACETYLLYSINEA,B2OD70.75
ALYN(6)-ACETYLLYSINEP1E6I0.75
ALYN(6)-ACETYLLYSINEA,B1SZC0.75
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.75
ALYN(6)-ACETYLLYSINEA,B2H2D0.75
ALYN(6)-ACETYLLYSINEA,B1Q1A0.75
ALYN(6)-ACETYLLYSINEA,B1SZD0.75
ALYN(6)-ACETYLLYSINEQ,R2E3K0.75
ALYN(6)-ACETYLLYSINEA2OZU0.75
ALYN(6)-ACETYLLYSINEA,B2QQF0.75
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.75
140N-PALMITOYLGLYCINEA,B1JPZ0.75
140N-PALMITOYLGLYCINEA,B1ZOA0.75
140N-PALMITOYLGLYCINEA,B3CBD0.75
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B1R300.73
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A1DAM0.73
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B,C,D3FPA0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRK0.71
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRL0.71
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.73
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.77