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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382548

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.72
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.72
DIR3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINEA,B,C1T4T0.77
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.72
GGBL-CANAVANINEA,B6NSE0.71
GND2-AMINO-5-GUANIDINO-PENTANOIC ACIDA1NBK0.74
AROC-GAMMA-HYDROXY ARGININEA,B,C,D,E,F1FFV0.75
AROC-GAMMA-HYDROXY ARGININEA,B,C,D,E,F1FFU0.75
3ARN-OMEGA-PROPYL-L-ARGININEA1QW60.7
3ARN-OMEGA-PROPYL-L-ARGININEA,B1QW40.7
3ARN-OMEGA-PROPYL-L-ARGININEA,B1MMV0.7
MGG2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-
PENTANOIC ACID
A1CVQ0.71
ASIL-ISO-ASPARTATEA1EJC0.72
ASIL-ISO-ASPARTATEA,B1EJD0.72
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.72
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.72
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.72
ASIL-ISO-ASPARTATEA,B,C,D1JG30.72
ASIL-ISO-ASPARTATEA,B1DLG0.72
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.72
ASIL-ISO-ASPARTATEA1EYN0.72
ASIL-ISO-ASPARTATEA2JV00.72
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.72
NMGGUANIDINO ACETATEA1XCJ0.7
DARD-ARGININEA,B2Q330.74
DARD-ARGININEA,B,E,F,G,H1MHW0.74
DARD-ARGININEA2JUE0.74
DARD-ARGININEH,I1A4W0.74
DARD-ARGININEA1BDK0.74
DARD-ARGININEA1CWZ0.74
DARD-ARGININEB1CFA0.74
DARD-ARGININEB,C3BV90.74
DARD-ARGININEA1CVQ0.74
DARD-ARGININEA1P520.74
DARD-ARGININEA,D1CZQ0.74
DARD-ARGININEA1CW80.74
DARD-ARGININEA,B,C,D3BOG0.74
DARD-ARGININEA1BFW0.74
DARD-ARGININEA1BG00.74
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.7
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA,B,C3D670.73
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA1H8L0.73
HARN-OMEGA-HYDROXY-L-ARGININEX2FBZ0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWW0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B3NOS0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWV0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1DWX0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B5NSE0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B2FC20.72
HARN-OMEGA-HYDROXY-L-ARGININEA1M7Z0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B,C1HQF0.72
HARN-OMEGA-HYDROXY-L-ARGININEA,B1LZX0.72
HRGL-HOMOARGININEA,B,C2VDN0.73
HRGL-HOMOARGININEA3DIQ0.73
HRGL-HOMOARGININEA,B1DM70.73
NMM(R)-2-AMINO-5-(3-METHYLGUANIDINO)BUTANOIC ACIDA,B,D,E2V850.71
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
NIGN-(IMINOMETHYL)-L-GLUTAMIC ACIDA,B2PUZ0.75
CMAN2-(CARBOXYETHYL)-L-ARGININEA,B1JGT0.78
HMRBETA-HOMOARGININEI1ABI0.73
HMRBETA-HOMOARGININER1NRQ0.73
HMRBETA-HOMOARGININER1NRP0.73
HMRBETA-HOMOARGININEA3C3G0.73
HMRBETA-HOMOARGININEA3C3H0.73
NNHNOR-N-OMEGA-HYDROXY-L-ARGININEA,B,C1HQH0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.87
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.87
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.87
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.87
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.87
DASD-ASPARTIC ACIDA1BFW0.72
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.72
DASD-ASPARTIC ACIDA1KS70.72
DASD-ASPARTIC ACIDA1C4B0.72
DASD-ASPARTIC ACIDA,B,C,D3BOG0.72
DASD-ASPARTIC ACIDA,L1ZEA0.72
DASD-ASPARTIC ACIDA,B,C,D1HG10.72
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.72
DASD-ASPARTIC ACIDA,B2Q330.72
DASD-ASPARTIC ACIDE1AN10.72
AS1ARGININOSUCCINATEA,B,C,D1TJW0.83
AS1ARGININOSUCCINATED1DCN0.83
AS1ARGININOSUCCINATEA,B,C,D1K7W0.83
AS1ARGININOSUCCINATEA,B,C,D1J200.83