MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242891

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
AC0	1-PHENYLETHANONE	A	1ZK1	0.86
AC0	1-PHENYLETHANONE	A	1ZK4	0.86
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.71
NPY	NAPHTHALENE	A,B	1O7G	0.74
FPR	PROPYLBENZENE	C	1RHK	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.87
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.79
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.75
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.75
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.78
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
VK3	MENADIONE	A	1TUV	0.82
VK3	MENADIONE	A,B	2QR2	0.82
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.9
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.9
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
BFL		A,B	1Q4G	0.8
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
DEN	INDENE	A	183L	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.77
3PL	3-PHENYLPROPANAL	E	1Y3G	0.82
I4B	ISOBUTYLBENZENE	A	184L	0.75
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.76
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.78
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.75
HBX	benzaldehyde	A,B	3GDN	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.86
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
AN3	ANTHRACENE	A,B	2HMN	0.73
AN3	ANTHRACENE	A,B	2HMM	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.91
N4B	N-BUTYLBENZENE	A	186L	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
PEY	PHENANTHRENE	A,B	2HML	0.73
PEY	PHENANTHRENE	A,B	2HMK	0.73
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.83
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.83
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.83
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
BDB		A,B	1KE3	0.79
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.82
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76